NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.3281 8.3027 120.1743 56.3526 32.5661 174.7437 9 S 4.4754 7.8836 113.3738 56.0647 63.2948 172.0438 10 F 4.4195 8.4001 123.6194 57.9505 40.3944 174.7435 11 D 4.6855 8.9055 122.7845 53.4288 40.8620 174.0945 12 L 4.7573 8.3011 126.5204 54.1988 43.8488 175.4675 13 D 4.7537 9.1637 126.5673 53.4287 41.2566 176.6860 14 H 4.4501 9.1235 124.0973 57.9163 28.9771 176.7392 15 T 4.2695 8.3156 108.7688 62.4031 69.0889 175.3711 16 K 4.4248 7.7595 120.0289 56.3311 33.2122 176.7231 17 V 4.0554 7.5145 112.1861 60.4908 32.5492 176.1243 18 K 4.5862 9.0147 120.7160 54.4581 33.1686 176.3741 19 A 4.5506 9.2788 126.2645 51.0191 19.7506 175.1340 20 P 4.8124 0.0000 0.0000 62.7918 33.9332 174.1414 21 Y 5.1229 8.0306 117.8348 56.7658 42.0650 172.7693 22 V 5.0964 8.8621 119.1156 61.2211 34.5577 174.2815 23 R 4.9659 9.0330 127.0872 54.4578 33.7906 173.5510 24 L 4.3803 9.8629 129.4271 55.3551 42.2240 176.3539 25 A 4.3583 9.2079 128.3537 51.6374 20.5067 176.6246 26 G 3.4730 6.7289 103.8986 45.4342 0.0000 172.1772 27 V 4.8230 7.8063 119.0147 59.7087 34.4080 174.3316 28 K 4.5477 9.1441 126.6036 54.7855 34.4993 174.8525 29 T 4.8542 8.4991 124.3506 62.9622 69.6953 174.9352 30 T 4.3710 8.9061 116.3598 59.9111 70.3277 174.1396 31 P 4.2198 0.0000 0.0000 65.5417 31.3615 177.9839 32 K 4.1211 7.8532 114.9292 56.6170 32.3074 177.3443 33 G 4.0356 8.1471 106.9083 45.0899 0.0000 173.5997 34 D 4.8267 8.2013 120.6113 53.5868 43.1991 175.0061 35 Q 5.0238 8.4663 116.8290 54.3644 33.0386 174.9472 36 I 4.7653 8.7799 123.7679 59.8295 39.3731 174.6607 37 S 4.8977 9.0425 124.4751 57.0252 64.8676 173.4346 38 K 4.7811 8.4410 124.1995 54.8033 34.5371 174.9146 39 Y 5.1418 9.0887 122.0304 56.2182 41.9149 174.3557 40 D 4.5894 9.4185 124.1474 53.3726 42.5212 175.2329 41 L 4.4391 8.6989 128.7707 53.2261 42.0625 174.4354 42 R 4.3691 8.3144 124.1479 55.3439 30.5919 176.3869 43 F 4.2776 9.2803 125.6573 59.6478 39.7558 176.1501 44 L 4.8964 8.1146 116.8641 52.3180 44.6720 176.6001 45 Q 4.0466 8.5884 122.9818 55.3358 29.5802 173.9778 46 P 4.3764 0.0000 0.0000 64.5923 31.7342 175.7785 47 N 4.3304 9.0139 117.9992 54.2473 35.8920 174.4788 48 Q 4.5267 9.3962 114.8923 54.4673 29.2995 174.8879 49 G 4.3950 7.0399 104.1207 43.5552 0.0000 172.4493 50 A 4.7871 7.6139 121.1995 49.8288 22.5204 176.0288 51 I 3.8941 8.7200 121.3035 60.8127 37.9807 176.0898 52 D 4.4278 8.6794 125.3298 53.8817 42.1442 175.3779 53 P 4.2018 0.0000 0.0000 65.5312 31.3283 178.9490 54 A 4.1961 8.1778 120.6675 54.5897 18.2230 179.5833 55 A 3.9264 7.8755 118.8455 55.3483 18.4804 179.5798 56 I 3.5250 7.9197 117.2013 64.0550 37.9865 177.6259 57 H 4.1938 8.3515 119.4515 59.6339 29.6581 177.4135 58 T 3.9294 8.0710 117.5642 66.5377 68.2097 176.6215 59 L 4.0332 8.2722 121.3167 57.6913 41.7679 179.0128 60 E 3.9634 8.5074 119.4998 59.8730 28.7239 178.6960 61 H 4.1847 8.3785 116.0084 58.8170 28.7148 177.9495 62 L 3.8984 8.1899 120.8576 57.8377 41.4942 179.5769 63 L 4.2265 8.5789 118.8705 57.1614 41.2386 179.1927 64 A 4.1034 7.9456 121.0796 55.2484 18.4126 179.8641 65 G 3.4996 7.3782 100.5779 47.9760 0.0000 175.8123 66 Y 4.7042 7.7209 118.1379 60.9419 38.1125 178.0659 67 M 4.3799 8.6379 120.4128 58.4557 31.8802 178.9487 68 R 4.1943 7.4572 117.1689 59.0714 30.2486 178.4965 69 D 4.5218 7.9327 117.6753 56.3621 40.8721 176.6212 70 H 4.9177 7.8047 113.7788 55.1919 29.9211 173.7153 71 L 4.5317 7.5341 120.6432 53.8227 44.8895 174.6665 72 E 4.3503 8.7118 125.2655 56.6682 30.9863 176.4638 73 G 3.9011 8.7529 107.7369 45.8557 0.0000 173.4851 74 V 3.8901 7.5824 119.2668 62.8121 31.9468 175.7528 75 V 3.9067 8.6510 129.0296 64.5273 31.4652 175.3548 76 D 4.5893 7.6132 117.0535 53.6144 45.4501 174.0146 77 V 4.7863 8.4742 120.6386 61.5504 33.0827 174.9900 78 S 5.0543 9.3441 123.8312 55.6863 66.9922 171.8289 79 P 4.6653 0.0000 0.0000 63.1674 31.8648 175.9883 80 M 4.3933 8.4483 122.2928 53.9446 33.1005 178.4485 81 G 3.8246 8.3695 111.4152 45.4222 0.0000 174.2260 *83 R 4.1161 7.9299 114.3270 55.9875 31.8443 177.0167 84 T 4.4348 7.4450 106.6190 61.4154 70.7275 173.4707 85 G 3.9816 6.8845 107.8691 46.6810 0.0000 171.9575 86 M 5.3158 8.6889 118.5033 53.6899 36.3259 174.5920 87 Y 5.3257 9.2076 119.1285 56.7377 41.1328 174.7054 88 M 5.5670 9.4371 121.9013 53.2965 36.1510 173.3389 89 A 5.2521 8.7480 127.2263 50.4221 22.0067 175.5309 90 V 4.8599 8.8298 120.7490 61.0976 35.3917 174.6548 91 I 4.4125 9.2390 129.2693 61.4256 37.3257 175.9157 92 G 4.3298 8.2281 116.3814 43.4694 0.0000 171.3474 93 E 4.2236 8.0201 118.2609 55.0477 30.2182 175.1148 94 P 4.4767 0.0000 0.0000 62.7441 32.3602 177.2263 95 D 4.8719 9.4375 121.1372 52.0912 42.5228 175.2272 96 E 4.1036 8.5527 123.5147 59.0488 29.9189 178.2628 97 Q 4.0664 8.2135 119.1755 59.3427 29.0999 178.6557 98 G 3.5656 8.3527 106.6404 47.7196 0.0000 175.8412 99 V 3.4176 7.7919 120.6546 65.7206 31.4179 177.6507 100 M 4.0780 8.3417 118.3799 58.8396 32.1079 178.3969 101 K 3.9467 8.2930 118.3495 59.3693 32.1472 179.2537 102 A 4.0090 8.2872 121.3132 55.0800 18.2504 179.4551 103 F 4.3866 8.7517 119.6615 61.3778 39.4586 176.9546 104 E 3.6034 8.4042 118.8120 59.1605 29.4694 178.7117 105 A 3.8109 7.9766 120.5224 55.0783 18.3331 179.5091 106 A 4.0094 8.3687 119.6729 55.1649 18.4112 179.9250 107 L 3.8582 8.1185 118.1698 57.6608 41.6172 179.7170 108 K 3.8474 7.8930 118.4620 59.4672 31.7586 178.9406 109 D 4.0133 7.5588 117.7608 57.5361 40.8884 178.7901 110 T 4.1366 7.9739 116.0881 66.8033 68.3200 176.5473 111 A 4.1607 8.3034 121.5930 54.5786 18.3753 178.8595 112 G 4.1554 7.5622 101.6046 44.0161 0.0000 173.5644 113 H 4.5192 8.1218 121.6189 55.7826 28.8256 174.7045 114 D 5.0184 8.3657 129.5773 53.1821 39.7643 175.6129 115 Q 4.6896 7.6290 116.7225 53.8718 32.4265 173.5533 116 P 4.3769 0.0000 0.0000 62.8983 31.8033 176.6294 117 I 3.9051 8.1253 122.1776 60.2431 37.6007 174.5495 118 P 4.2558 0.0000 0.0000 63.9734 31.6149 176.1718 119 G 3.7142 8.7401 109.0689 45.8351 0.0000 173.9154 120 V 4.1381 7.4623 120.8546 61.1696 31.4268 174.3244 121 S 4.2623 7.7314 120.1266 57.0818 65.0095 176.6376 122 E 4.0271 7.8849 118.4384 58.6559 29.5892 178.2487 123 L 4.1541 7.7618 119.0685 56.6670 42.2308 177.2144 124 E 4.5967 8.1461 115.4343 56.0943 30.7980 175.0220 125 C 4.9023 8.0047 118.4733 57.6099 34.6634 173.9998 126 G 3.8531 8.8370 114.2097 47.1420 0.0000 173.6657 127 N 4.9827 7.7261 117.8425 52.7383 39.6024 174.4534 128 Y 4.2907 7.9737 117.7455 59.6510 38.7383 178.2387 129 R 3.9937 7.2320 117.6041 57.1790 30.7717 176.4103 130 D 4.7639 8.0611 120.1582 52.7120 39.8348 174.3121 131 H 4.9502 7.6682 117.2358 54.0653 33.3332 173.9721 132 D 4.5712 8.7934 121.3841 51.9816 42.2257 175.5046 133 L 3.9778 8.5150 126.9653 57.6137 42.3448 177.9819 134 A 3.9707 8.0082 119.9949 55.2397 18.3871 179.3430 135 A 3.9315 8.6689 119.3090 55.1389 18.4490 179.6910 136 A 4.0198 8.1331 119.3686 55.4557 18.3993 180.0976 137 R 3.9426 8.3509 116.8616 59.4730 30.0715 179.1331 138 Q 3.9526 8.3145 119.4230 59.3855 29.0449 177.9181 139 H 4.2464 8.5280 117.2696 58.6738 28.7311 177.5972 140 A 4.0011 8.2625 122.5588 55.3177 18.2041 179.7890 141 R 3.8259 8.1754 116.6830 59.5263 30.1511 178.9550 142 D 4.3395 8.4671 118.9482 57.3468 40.8228 179.0281 143 V 3.4893 7.7678 118.4979 66.1118 31.2867 178.0767 144 L 3.9402 7.4777 117.1751 57.8035 41.4493 178.9927 145 D 4.4673 8.1717 118.4884 57.4993 40.8333 178.5465 146 Q 4.1031 7.9253 117.6934 56.2431 29.1580 177.6490 147 G 3.8483 8.1873 106.9195 45.7401 0.0000 173.1501 148 L 4.8192 7.9515 122.9994 54.1081 43.6061 175.5338 149 K 4.5047 7.9792 116.6370 56.1109 36.3052 174.9112 150 V 4.4459 8.3737 121.8843 62.5497 31.9900 174.9029 151 Q 4.2648 8.6491 130.7092 54.7821 29.4917 175.5278 152 E 4.0888 8.6179 126.2261 56.4954 30.2880 176.4470 153 T 4.1407 8.2819 119.3083 63.4546 69.5102 174.1749 154 I 4.2588 8.2480 127.9964 59.7038 38.5237 175.3347 155 L 4.7032 8.3592 127.3141 53.9741 42.8056 177.4902 156 L 4.1686 8.3643 120.6688 55.2410 41.5476 177.1604 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 4.33 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 9 S 7.88 4.48 0.00 3.79 3.67 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 10 F 8.40 4.42 0.00 2.97 2.85 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 11 D 8.91 4.69 0.00 2.86 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 12 L 8.30 4.76 0.00 1.75 1.56 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.16 4.75 0.00 2.74 2.64 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 14 H 9.12 4.45 0.00 3.18 3.41 0.00 5.94 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 15 T 8.32 4.27 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 1.25 0.00 0.00 16 K 7.76 4.42 0.00 1.78 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.53 7.81 17 V 7.51 4.06 2.05 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 0.61 0.00 0.00 1.18 0.00 0.00 18 K 9.01 4.59 0.00 1.72 1.78 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.50 7.81 19 A 9.28 4.55 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 20 P 0.00 4.81 0.00 2.05 2.27 0.00 3.76 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.91 0.00 21 Y 8.03 5.12 0.00 3.18 3.12 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 22 V 8.86 5.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.02 0.00 0.00 23 R 9.03 4.97 0.00 1.89 1.96 0.00 3.16 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 24 L 9.86 4.38 0.00 1.77 1.79 0.54 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 25 A 9.21 4.36 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 26 G 6.73 3.47 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 27 V 7.81 4.82 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 0.78 0.00 0.00 0.95 0.00 0.00 28 K 9.14 4.55 0.00 1.71 1.62 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.47 7.81 29 T 8.50 4.85 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 1.27 0.00 0.00 30 T 8.91 4.37 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 31 P 0.00 4.22 0.00 2.06 2.15 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 2.10 0.00 32 K 7.85 4.12 0.00 1.72 1.85 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 33 G 8.15 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.20 4.83 0.00 2.64 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 8.47 5.02 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 36 I 8.78 4.77 1.83 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 1.22 0.66 0.92 0.00 0.00 37 S 9.04 4.90 0.00 3.84 3.42 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 38 K 8.44 4.78 0.00 1.39 1.49 0.00 1.45 0.00 0.00 1.34 0.00 0.00 2.65 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.19 1.18 7.81 39 Y 9.09 5.14 0.00 2.86 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 9.42 4.59 0.00 2.90 2.92 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 41 L 8.70 4.44 0.00 1.47 0.58 0.52 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.31 4.37 0.00 1.19 0.66 0.00 3.16 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.45 0.00 43 F 9.28 4.28 0.00 2.98 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 44 L 8.11 4.90 0.00 1.47 1.58 0.95 0.95 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 45 Q 8.59 4.05 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 46 P 0.00 4.38 0.00 2.31 2.12 0.00 3.94 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 47 N 9.01 4.33 0.00 2.90 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 9.40 4.53 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.63 2.43 0.00 49 G 7.04 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 0.00 0.00 0.00 50 A 7.61 4.79 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 51 I 8.72 3.89 1.74 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.46 0.70 0.00 0.00 52 D 8.68 4.43 0.00 2.81 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 53 P 0.00 4.20 0.00 2.16 2.04 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 54 A 8.18 4.20 1.41 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 55 A 7.88 3.93 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 7.92 3.53 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.35 0.90 0.00 0.00 57 H 8.35 4.19 0.00 3.28 3.32 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 8.07 3.93 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 1.23 0.00 0.00 59 L 8.27 4.03 0.00 1.78 1.75 0.54 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.51 3.96 0.00 2.14 2.29 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 2.36 2.40 0.00 61 H 8.38 4.18 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 8.19 3.90 0.00 1.78 1.86 0.96 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.58 4.23 0.00 1.87 1.88 1.29 1.11 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 7.95 4.10 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 65 G 7.38 3.50 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 0.00 0.00 0.00 66 Y 7.72 4.70 0.00 3.07 3.02 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 0.00 0.00 0.00 0.00 67 M 8.64 4.38 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.97 0.00 68 R 7.46 4.19 0.00 1.90 2.01 0.00 3.27 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 1.68 1.79 0.00 69 D 7.93 4.52 0.00 2.80 2.60 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 70 H 7.80 4.92 0.00 3.20 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.53 4.53 0.00 1.56 1.66 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.71 4.35 0.00 2.27 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 2.27 1.87 0.00 73 G 8.75 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.58 3.89 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 0.84 0.00 0.00 1.00 0.00 0.00 75 V 8.65 3.91 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 76 D 7.61 4.59 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.79 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 0.87 0.00 0.00 1.04 0.00 0.00 78 S 9.34 5.05 0.00 3.79 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 4.67 0.00 2.04 2.02 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 80 M 8.45 4.39 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.11 0.00 81 G 8.37 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 0.00 0.00 0.00 *83 R 7.93 4.12 0.00 1.86 2.09 0.00 3.21 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 84 T 7.44 4.43 4.42 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 1.25 0.00 0.00 85 G 6.88 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 M 8.69 5.32 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 2.23 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 9.21 5.33 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 88 M 9.44 5.57 0.00 2.14 1.88 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 2.69 2.42 0.00 89 A 8.75 5.25 1.22 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 90 V 8.83 4.86 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 1.18 0.00 0.00 1.09 0.00 0.00 91 I 9.24 4.41 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 0.68 0.92 0.00 0.00 92 G 8.23 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 0.00 0.00 0.00 0.00 93 E 8.02 4.22 0.00 2.38 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 2.27 1.90 0.00 94 P 0.00 4.48 0.00 2.13 2.08 0.00 3.77 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 95 D 9.44 4.87 0.00 2.73 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 96 E 8.55 4.10 0.00 2.15 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 2.71 2.61 0.00 97 Q 8.21 4.07 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 98 G 8.35 3.57 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 0.00 0.00 0.00 99 V 7.79 3.42 1.62 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 0.41 0.00 0.00 0.31 0.00 0.00 100 M 8.34 4.08 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 101 K 8.29 3.95 0.00 1.92 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.60 7.81 102 A 8.29 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.39 0.00 2.99 3.17 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 0.00 104 E 8.40 3.60 0.00 2.03 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 0.00 2.20 2.20 0.00 105 A 7.98 3.81 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 8.37 4.01 1.53 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 0.00 0.00 107 L 8.12 3.86 0.00 1.47 1.45 -0.32 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.89 3.85 0.00 1.84 1.75 0.00 1.58 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 1.51 7.81 109 D 7.56 4.01 0.00 1.95 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 7.97 4.14 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 1.34 0.00 0.00 111 A 8.30 4.16 1.26 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 0.00 112 G 7.56 4.16 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 0.00 113 H 8.12 4.52 0.00 3.49 3.45 0.00 5.89 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 8.37 5.02 0.00 2.79 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 0.00 115 Q 7.63 4.69 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.55 6.96 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 116 P 0.00 4.38 0.00 2.05 2.01 0.00 3.68 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 2.04 2.14 0.00 117 I 8.13 3.91 1.75 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 1.43 0.46 0.78 0.00 0.00 118 P 0.00 4.26 0.00 2.13 2.02 0.00 3.76 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 1.91 1.83 0.00 119 G 8.74 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 0.00 120 V 7.46 4.14 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 0.90 0.00 0.00 0.71 0.00 0.00 121 S 7.73 4.26 0.00 3.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.88 4.03 0.00 2.08 1.71 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 2.03 2.21 0.00 123 L 7.76 4.15 0.00 1.61 1.73 0.89 0.75 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 0.00 124 E 8.15 4.60 0.00 2.17 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 0.00 2.21 2.18 0.00 125 C 8.00 4.90 0.00 3.27 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 0.00 126 G 8.84 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 0.00 127 N 7.73 4.98 0.00 2.66 2.63 0.00 0.00 6.93 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 7.97 4.29 0.00 3.13 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 7.23 3.99 0.00 1.56 1.83 0.00 2.91 0.00 0.00 2.96 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 130 D 8.06 4.76 0.00 2.79 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 0.00 131 H 7.67 4.95 0.00 3.11 3.09 0.00 5.76 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.79 4.57 0.00 2.61 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 0.00 133 L 8.52 3.98 0.00 1.82 1.67 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.01 3.97 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 0.00 135 A 8.67 3.93 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 0.00 136 A 8.13 4.02 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 0.00 137 R 8.35 3.94 0.00 2.04 2.02 0.00 3.33 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 1.94 1.86 0.00 138 Q 8.31 3.95 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 139 H 8.53 4.25 0.00 3.48 3.56 0.00 5.68 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 8.26 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 8.18 3.83 0.00 2.01 1.98 0.00 3.32 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 142 D 8.47 4.34 0.00 2.88 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 7.77 3.49 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 0.69 0.00 0.00 0.58 0.00 0.00 144 L 7.48 3.94 0.00 1.72 1.63 0.82 0.96 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 8.17 4.47 0.00 2.80 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 7.93 4.10 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.25 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 147 G 8.19 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 0.00 148 L 7.95 4.82 0.00 1.53 1.67 0.75 0.94 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 0.00 149 K 7.98 4.50 0.00 1.81 1.89 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.53 7.81 150 V 8.37 4.45 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 0.81 0.00 0.00 0.98 0.00 0.00 151 Q 8.65 4.26 0.00 1.47 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.65 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 152 E 8.62 4.09 0.00 1.93 1.81 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 2.28 2.29 0.00 153 T 8.28 4.14 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 1.27 0.00 0.00 154 I 8.25 4.26 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.89 0.00 0.00 155 L 8.36 4.70 0.00 1.51 1.59 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.36 4.17 0.00 1.83 1.60 1.01 0.67 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 * Residues marked with a * may have inaccurate shift predictions.