NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.1697 8.3027 121.4628 55.5874 31.0369 175.9617 9 S 3.9992 8.5200 117.8411 61.3188 62.1385 175.5364 10 F 4.8317 8.4421 116.9936 59.1486 39.8873 175.0553 11 D 4.7030 8.5133 121.0383 54.5432 41.3848 176.1510 12 L 4.3444 7.5346 122.4525 54.5860 42.7882 176.0056 13 D 4.6483 9.2013 126.3984 53.6369 40.2161 176.5106 14 H 4.3475 8.8900 124.9808 58.2864 28.9198 176.9776 15 T 4.2520 8.2538 108.3718 62.5919 69.1032 175.4402 16 K 4.3646 7.6304 119.8660 56.8114 33.3502 177.0449 17 V 3.9162 7.5690 111.5850 60.8413 32.1886 176.0331 18 K 4.5656 8.9323 120.5855 54.4755 32.9413 176.3526 19 A 4.5647 9.3619 126.3089 50.9415 19.5467 175.1861 20 P 4.7649 0.0000 0.0000 62.9169 33.7891 174.2306 21 Y 5.0893 7.9214 117.8620 56.7868 42.0999 172.7293 22 V 5.0198 8.9336 119.0596 61.2384 34.6368 174.2844 23 R 5.1484 9.0627 126.9394 54.3969 33.9028 173.6017 24 L 4.3145 9.5712 129.2066 55.4426 41.9376 176.3561 25 A 4.4998 9.1514 128.7441 51.9159 20.2102 176.7563 26 G 4.1219 7.2889 103.4343 46.2639 0.0000 172.4997 27 V 4.9494 8.0762 119.2379 60.0866 34.2633 174.1721 28 K 4.6687 9.1127 124.2759 54.7906 35.3399 175.1076 29 T 4.8730 8.3881 120.4334 62.5948 69.8507 175.0404 30 T 4.3784 8.9656 116.8238 59.6531 70.4845 173.8530 31 P 4.1598 0.0000 0.0000 65.6592 31.2553 177.6729 32 K 4.2297 7.9374 114.1583 56.3910 32.1616 177.2561 33 G 3.9575 8.3581 107.9855 45.0100 0.0000 173.5506 34 D 4.8290 7.7639 120.5116 53.5978 43.1473 175.0207 35 Q 5.0489 8.4152 116.5457 54.4642 33.3051 174.6579 36 I 4.7934 8.6680 123.5411 59.8304 39.7005 174.7282 37 S 5.0134 9.2513 123.9591 56.6481 65.4346 173.1021 38 K 4.9315 8.8063 124.8736 54.7927 34.8340 174.3173 39 Y 5.1329 9.2027 124.2524 56.2434 41.9751 174.2704 40 D 4.6316 9.4306 124.2415 53.2746 42.5490 175.3664 41 L 4.4191 8.7447 128.8344 53.2423 42.3879 174.9394 42 R 4.4520 8.2895 125.1344 55.2260 30.8154 176.4816 43 F 4.2010 9.2733 125.4550 59.7025 39.6983 175.9839 44 L 4.9086 7.8850 116.3350 52.3270 44.8523 176.4301 45 Q 4.0563 8.5675 122.6060 55.2952 29.5385 173.9073 46 P 4.3604 0.0000 0.0000 64.6661 31.7365 175.7156 47 N 4.3242 9.0154 117.8553 54.2920 35.9211 174.4634 48 Q 4.5214 9.1478 115.0167 54.6568 29.2410 174.6454 49 G 4.3157 7.2044 102.7990 43.2610 0.0000 172.7927 50 A 4.8420 7.7700 121.4767 49.6744 22.6666 175.7936 51 I 3.9386 8.4916 120.9326 60.6962 37.9148 176.1226 52 D 4.3843 8.7671 125.9550 54.0504 42.1076 175.2009 53 P 4.1837 0.0000 0.0000 65.8049 31.3676 178.8788 54 A 4.1828 8.3618 120.2252 54.5580 18.2139 179.4922 55 A 3.9423 8.1055 118.8315 55.4210 18.4638 179.5187 56 I 3.5641 8.0621 117.0791 63.8611 38.0060 177.6369 57 H 4.2344 8.1350 119.5153 59.5309 29.5914 177.3912 58 T 3.9121 8.0768 117.6070 66.6166 68.3100 176.6644 59 L 4.0316 8.2065 121.1941 57.6911 41.6015 179.2305 60 E 3.9518 8.5022 119.4410 59.7420 29.1606 178.6284 61 H 4.1485 8.3964 116.1738 58.8259 28.6550 177.9289 62 L 3.6840 8.2830 121.0422 57.7836 41.5312 179.4580 63 L 4.2407 8.6843 118.5589 57.0051 41.2877 179.2620 64 A 4.1140 8.1501 121.6452 55.0489 18.4098 179.8423 65 G 3.5399 7.5115 103.7077 47.9989 0.0000 175.8214 66 Y 4.6630 7.8514 118.4217 61.0232 38.2106 178.0609 67 M 4.3631 8.5702 120.2594 58.5581 31.8877 179.0241 68 R 4.0634 7.4373 117.0918 58.9730 30.2428 178.4197 69 D 4.5334 7.9239 117.7579 56.2391 40.9607 176.6226 70 H 4.8914 7.8073 113.6369 55.2404 29.9612 173.8841 71 L 4.6268 7.4959 120.8270 53.5017 44.9522 175.0689 72 E 4.2339 8.7189 125.2200 57.0849 30.6595 176.8670 73 G 3.8918 8.8082 108.4736 45.7359 0.0000 173.4614 74 V 4.0426 7.6901 119.5464 63.0841 31.9358 175.5434 75 V 4.1254 8.7857 127.6882 64.8862 32.7116 175.4593 76 D 4.6963 7.6390 116.9680 53.1474 44.7039 174.5403 77 V 4.8877 8.4258 123.5412 61.4829 33.9164 174.5456 78 S 5.0142 9.2194 124.0019 55.7841 67.2565 172.1544 79 P 4.7138 0.0000 0.0000 63.0911 32.0795 175.7746 80 M 4.4046 8.5375 121.6378 53.8143 33.0979 178.4489 81 G 3.8490 8.5223 112.9949 45.4220 0.0000 174.0747 *83 R 4.1506 7.9631 114.4669 55.9232 31.8183 177.0309 84 T 4.4215 7.5006 106.9880 61.5947 70.8563 173.3718 85 G 4.5165 7.0348 107.9177 46.5345 0.0000 171.8699 86 M 5.3339 8.8279 118.5815 53.7137 36.0745 174.6988 87 Y 5.2261 8.8675 119.5325 56.8591 40.8107 174.4774 88 M 5.3045 9.2836 122.0187 53.8351 36.0687 173.5023 89 A 5.2851 8.9477 127.5962 50.2751 21.9175 175.5515 90 V 4.8924 8.9100 121.9494 61.0421 35.3526 174.4703 91 I 4.3280 8.9952 129.3347 60.2175 37.4156 175.1538 92 G 4.3768 8.5949 114.9331 42.7947 0.0000 172.5217 93 E 4.1233 8.2093 119.3742 55.2861 30.0282 175.2846 94 P 4.4730 0.0000 0.0000 63.6550 32.0348 177.1053 95 D 4.8633 9.1374 120.1771 52.3055 42.6749 175.3835 96 E 4.1392 8.3995 123.2557 59.1420 29.9855 178.6248 97 Q 4.0433 8.1124 119.3053 59.1479 29.2198 178.2465 98 G 3.7095 8.5543 108.3506 47.3114 0.0000 175.8395 99 V 3.4330 7.8174 120.6929 65.6297 31.3318 177.7859 100 M 4.1121 8.4013 118.5019 58.7079 32.1512 178.4291 101 K 3.9431 8.2303 118.3919 59.2440 32.0988 179.2924 102 A 3.9699 8.2433 121.2860 55.0971 18.3178 179.3929 103 F 4.3604 8.7982 119.5632 61.5243 39.4622 176.8733 104 E 3.6417 8.4979 118.9396 59.0836 29.4049 178.6950 105 A 3.7955 7.8516 120.4114 55.1175 18.3604 179.4972 106 A 3.9938 8.2691 119.6407 55.3018 18.4513 179.9040 107 L 3.8653 8.2061 118.0157 57.6415 41.5697 179.8258 108 K 3.9103 7.9203 118.6110 59.4265 31.7297 179.0776 109 D 4.0191 7.6543 118.0702 57.4509 40.8654 178.7205 110 T 4.1684 7.8939 116.0537 66.7340 68.2994 176.6626 111 A 4.1840 8.4185 121.7787 54.5063 18.4102 178.8726 112 G 4.1422 7.6102 101.6602 44.1158 0.0000 173.8182 113 H 4.4337 8.1039 121.6439 55.8622 28.5274 173.9205 114 D 4.8496 8.4444 124.3557 52.8627 39.5798 176.2547 115 Q 4.5354 7.3791 118.5267 53.6097 31.0289 173.3481 116 P 4.4319 0.0000 0.0000 62.6063 31.8136 176.8069 117 I 3.8685 8.1157 122.6100 60.4009 37.6172 174.5941 118 P 4.2807 0.0000 0.0000 63.8390 31.7857 176.1876 119 G 3.7520 8.6600 107.7041 46.5018 0.0000 173.9698 120 V 4.1016 7.4279 120.1932 61.4496 30.9469 174.7811 121 S 4.2645 7.7854 119.8659 57.0553 64.9442 176.9581 122 E 4.1160 7.9919 119.2000 59.1898 29.5954 178.5047 123 L 4.1100 7.8790 118.8847 57.0684 41.7954 177.4262 124 E 4.5485 8.0570 114.8923 56.1354 30.5253 175.4313 125 C 4.9223 8.0555 118.7799 57.4395 34.5431 174.0032 126 G 3.8782 8.8285 113.7329 47.0948 0.0000 173.9370 127 N 4.9641 7.6466 117.6863 52.9291 39.7614 174.1695 128 Y 4.4412 7.8992 117.5560 58.9040 38.8366 177.8782 129 R 4.1564 7.3090 118.0185 56.8481 30.9372 176.4004 130 D 4.7562 7.8313 120.0462 52.7460 39.8192 174.2486 131 H 5.0832 7.6168 117.4204 54.1523 33.3692 174.0172 132 D 4.5426 8.7311 120.6269 52.3106 42.4369 175.6256 133 L 3.9584 8.5339 127.0289 57.7253 42.3738 177.8428 134 A 3.9961 8.1046 120.0084 55.3451 18.2713 179.3570 135 A 3.9245 8.7379 119.2092 55.1044 18.5267 179.7221 136 A 4.0273 8.1517 119.3560 55.5022 18.4560 180.1373 137 R 3.9586 8.4604 117.0337 59.4120 30.0192 179.1257 138 Q 3.9787 8.1846 119.5124 59.3192 29.0250 177.8437 139 H 4.2505 8.4926 117.2989 58.6633 28.7229 177.6152 140 A 3.9954 8.1366 122.4052 55.2609 18.2402 179.7880 141 R 3.8295 8.1202 116.6129 59.6334 30.1695 179.0018 142 D 4.3720 8.4142 118.8633 57.3230 40.7094 179.1293 143 V 3.4826 7.7170 118.6316 65.9850 31.2918 178.1359 144 L 3.8520 7.5326 117.4712 57.7549 41.4690 178.9212 145 D 4.4724 8.2201 118.4292 57.5792 40.8544 178.6191 146 Q 4.0963 7.9488 117.5421 56.0483 29.0940 177.4933 147 G 3.8822 8.0426 107.2184 45.8090 0.0000 172.9361 148 L 4.7109 7.9669 122.7955 54.0406 43.4527 175.7624 149 K 4.5981 8.0573 116.3468 55.8779 36.5312 174.8906 150 V 4.4016 8.3253 121.6730 62.5078 32.0257 174.7822 151 Q 4.3392 8.5452 130.3285 54.5977 29.6971 175.4719 152 E 4.0899 8.5845 125.8714 56.3399 30.3179 176.5962 153 T 4.0493 8.2562 118.7973 63.2903 68.9864 174.2720 154 I 4.3656 8.1695 128.0177 59.7203 38.8627 175.1980 155 L 4.8685 8.4224 127.1532 53.6444 43.3172 176.9515 156 L 4.2871 8.5696 120.8836 55.1495 41.2842 176.9677 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 8 E 8.30 4.17 0.00 1.95 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 1.94 2.12 0.00 9 S 8.52 4.00 0.00 3.95 3.54 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 10 F 8.44 4.83 0.00 3.10 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 11 D 8.51 4.70 0.00 2.84 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 12 L 7.53 4.34 0.00 1.57 1.76 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.20 4.65 0.00 2.69 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 14 H 8.89 4.35 0.00 3.19 3.43 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.25 4.25 4.27 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 1.24 0.00 0.00 16 K 7.63 4.36 0.00 1.77 1.88 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.60 7.81 17 V 7.57 3.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 1.15 0.00 0.00 18 K 8.93 4.57 0.00 1.71 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.50 7.81 19 A 9.36 4.56 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 20 P 0.00 4.76 0.00 2.04 2.25 0.00 3.75 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 21 Y 7.92 5.09 0.00 3.17 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 22 V 8.93 5.02 2.19 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 0.99 0.00 0.00 1.05 0.00 0.00 23 R 9.06 5.15 0.00 1.91 1.92 0.00 3.07 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 24 L 9.57 4.31 0.00 1.70 1.56 0.58 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 25 A 9.15 4.50 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 26 G 7.29 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 27 V 8.08 4.95 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 0.68 0.00 0.00 0.95 0.00 0.00 28 K 9.11 4.67 0.00 1.64 1.67 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.31 7.81 29 T 8.39 4.87 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 1.23 0.00 0.00 30 T 8.97 4.38 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 1.24 0.00 0.00 31 P 0.00 4.16 0.00 2.05 2.17 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 32 K 7.94 4.23 0.00 1.74 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 33 G 8.36 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 34 D 7.76 4.83 0.00 2.58 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 35 Q 8.42 5.05 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 36 I 8.67 4.79 1.84 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 1.21 1.10 0.89 0.00 0.00 37 S 9.25 5.01 0.00 3.79 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 38 K 8.81 4.93 0.00 1.60 1.46 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.35 1.26 7.81 39 Y 9.20 5.13 0.00 2.90 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 40 D 9.43 4.63 0.00 2.83 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 41 L 8.74 4.42 0.00 1.39 0.41 0.48 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.29 4.45 0.00 0.95 0.66 0.00 3.16 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.43 0.00 43 F 9.27 4.20 0.00 3.05 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 44 L 7.88 4.91 0.00 1.52 1.58 0.97 0.92 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 45 Q 8.57 4.06 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 46 P 0.00 4.36 0.00 2.34 2.14 0.00 3.94 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 47 N 9.02 4.32 0.00 2.91 2.95 0.00 0.00 6.91 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 9.15 4.52 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 49 G 7.20 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 0.00 0.00 0.00 0.00 50 A 7.77 4.84 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 51 I 8.49 3.94 1.77 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.46 0.68 0.00 0.00 52 D 8.77 4.38 0.00 2.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.18 0.00 2.16 2.06 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 54 A 8.36 4.18 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 55 A 8.11 3.94 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 56 I 8.06 3.56 1.75 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 1.29 1.33 0.91 0.00 0.00 57 H 8.14 4.23 0.00 3.32 3.40 0.00 5.66 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 58 T 8.08 3.91 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 59 L 8.21 4.03 0.00 1.74 1.70 0.56 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.50 3.95 0.00 2.17 2.30 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 2.36 2.40 0.00 61 H 8.40 4.15 0.00 3.36 3.30 0.00 5.69 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 62 L 8.28 3.68 0.00 1.78 1.87 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.68 4.24 0.00 1.87 1.89 1.33 1.31 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 64 A 8.15 4.11 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 65 G 7.51 3.54 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 66 Y 7.85 4.66 0.00 3.10 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 67 M 8.57 4.36 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.99 0.00 68 R 7.44 4.06 0.00 2.00 2.01 0.00 3.31 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 69 D 7.92 4.53 0.00 2.85 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 7.81 4.89 0.00 3.23 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.50 4.63 0.00 1.55 1.66 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.72 4.23 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 73 G 8.81 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 0.00 0.00 0.00 74 V 7.69 4.04 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 0.85 0.00 0.00 1.03 0.00 0.00 75 V 8.79 4.13 2.22 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 0.78 0.00 0.00 1.00 0.00 0.00 76 D 7.64 4.70 0.00 2.81 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 77 V 8.43 4.89 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 0.94 0.00 0.00 0.98 0.00 0.00 78 S 9.22 5.01 0.00 3.82 3.73 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 79 P 0.00 4.71 0.00 2.05 2.02 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 80 M 8.54 4.40 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 81 G 8.52 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 R 7.96 4.15 0.00 1.88 2.10 0.00 3.22 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 84 T 7.50 4.42 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 85 G 7.03 4.52 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 86 M 8.83 5.33 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.72 0.00 87 Y 8.87 5.23 0.00 2.90 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 88 M 9.28 5.30 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 89 A 8.95 5.29 1.24 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 0.00 0.00 0.00 90 V 8.91 4.89 2.34 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 0.99 0.00 0.00 1.08 0.00 0.00 91 I 9.00 4.33 1.89 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 1.17 0.67 0.92 0.00 0.00 92 G 8.59 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 0.00 0.00 0.00 0.00 93 E 8.21 4.12 0.00 2.11 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 2.31 2.38 0.00 94 P 0.00 4.47 0.00 2.10 2.06 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 95 D 9.14 4.86 0.00 2.76 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 96 E 8.40 4.14 0.00 2.13 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 2.67 2.60 0.00 97 Q 8.11 4.04 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 98 G 8.55 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 99 V 7.82 3.43 1.57 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 0.48 0.00 0.00 0.08 0.00 0.00 100 M 8.40 4.11 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 101 K 8.23 3.94 0.00 1.94 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.59 7.81 102 A 8.24 3.97 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 0.00 103 F 8.80 4.36 0.00 3.03 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 0.00 104 E 8.50 3.64 0.00 2.03 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 2.20 2.20 0.00 105 A 7.85 3.80 0.97 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 0.00 0.00 106 A 8.27 3.99 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 3.87 0.00 1.49 1.46 -0.36 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.92 3.91 0.00 1.84 1.75 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.55 7.81 109 D 7.65 4.02 0.00 1.82 1.54 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 0.00 110 T 7.89 4.17 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 1.35 0.00 0.00 111 A 8.42 4.18 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 0.00 112 G 7.61 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.10 4.43 0.00 3.51 3.44 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.44 4.85 0.00 2.78 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 0.00 115 Q 7.38 4.54 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 7.01 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 116 P 0.00 4.43 0.00 2.05 1.99 0.00 3.69 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 2.03 2.12 0.00 117 I 8.12 3.87 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.45 0.77 0.00 0.00 118 P 0.00 4.28 0.00 2.12 2.00 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 119 G 8.66 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 0.00 120 V 7.43 4.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.65 0.00 0.00 121 S 7.79 4.26 0.00 3.80 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 0.00 122 E 7.99 4.12 0.00 2.15 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 2.09 2.26 0.00 123 L 7.88 4.11 0.00 1.61 1.74 0.88 0.84 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 0.00 124 E 8.06 4.55 0.00 2.11 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 2.19 0.00 125 C 8.06 4.92 0.00 3.31 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 0.00 126 G 8.83 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 0.00 127 N 7.65 4.96 0.00 2.64 2.60 0.00 0.00 6.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.90 4.44 0.00 3.15 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 0.00 129 R 7.31 4.16 0.00 1.56 1.86 0.00 2.60 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.00 130 D 7.83 4.76 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.62 5.08 0.00 3.12 3.10 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.73 4.54 0.00 2.62 2.51 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 0.00 133 L 8.53 3.96 0.00 1.82 1.67 0.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.10 4.00 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 0.00 135 A 8.74 3.92 1.47 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 0.00 136 A 8.15 4.03 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 0.00 137 R 8.46 3.96 0.00 2.01 2.02 0.00 3.38 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 138 Q 8.18 3.98 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 139 H 8.49 4.25 0.00 3.50 3.56 0.00 5.67 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 0.00 140 A 8.14 4.00 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 0.00 141 R 8.12 3.83 0.00 2.04 1.98 0.00 3.33 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 142 D 8.41 4.37 0.00 2.85 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 0.00 143 V 7.72 3.48 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 0.71 0.00 0.00 0.60 0.00 0.00 144 L 7.53 3.85 0.00 1.72 1.62 0.83 0.99 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 0.00 145 D 8.22 4.47 0.00 2.74 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 0.00 146 Q 7.95 4.10 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.29 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 147 G 8.04 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 0.00 148 L 7.97 4.71 0.00 1.51 1.64 0.71 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.06 4.60 0.00 1.84 1.89 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.55 7.81 150 V 8.33 4.40 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 0.80 0.00 0.00 0.97 0.00 0.00 151 Q 8.55 4.34 0.00 1.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.87 0.00 152 E 8.58 4.09 0.00 1.94 1.82 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 2.28 2.29 0.00 153 T 8.26 4.05 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 1.20 0.00 0.00 154 I 8.17 4.37 1.85 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 1.29 0.86 0.91 0.00 0.00 155 L 8.42 4.87 0.00 1.53 1.60 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.57 4.29 0.00 1.56 1.60 1.04 1.00 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 * Residues marked with a * may have inaccurate shift predictions.