NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4358 8.3349 115.4144 57.4699 64.3944 172.0685 3 N 4.8000 7.7029 116.3121 53.4564 42.8624 172.6105 4 T 4.7380 9.0275 115.7025 62.3836 72.9517 173.8302 5 L 4.8045 8.6711 123.8023 54.7133 44.0599 176.1763 6 F 4.9563 7.7957 119.7525 57.1556 42.8008 172.1682 7 D 5.1659 7.6024 124.1293 52.2193 44.3172 173.7135 8 D 4.5387 7.9129 125.9766 54.3765 45.8592 174.8307 9 I 5.1424 7.5478 123.0920 59.7259 39.9821 174.6767 10 F 4.9593 9.9846 124.8901 55.7556 43.2475 174.3266 11 Q 4.9302 8.7644 123.1875 54.0566 30.3963 174.3644 12 V 4.0870 8.6598 127.6993 63.3624 31.8826 176.4138 13 S 4.5764 8.5743 123.0621 59.6586 64.4958 173.9329 14 E 4.7206 7.8988 119.6667 54.7045 33.4795 174.5540 15 V 4.2751 8.2236 123.6522 61.6686 34.0525 173.2361 16 D 4.8441 9.0995 129.3011 51.9003 42.9573 173.8073 17 P 4.8693 0.0000 0.0000 60.7440 30.1544 175.5337 18 G 3.8841 7.7728 119.5470 45.2243 0.0000 171.3809 19 R 3.9496 8.1971 114.2273 57.0674 27.8427 176.1790 20 Y 4.5151 7.9112 116.1998 56.2899 38.8138 176.1915 21 N 4.6787 8.7684 122.3222 54.7445 39.0895 175.9311 22 K 4.7235 8.0568 114.8711 55.2688 35.1431 176.0233 23 V 4.9820 8.0623 118.7287 61.2857 34.5532 174.1165 24 C 4.9429 8.8165 122.2215 58.1147 33.3822 172.9883 25 R 4.7644 8.8757 121.5082 54.9282 31.5123 174.8526 26 I 4.5104 8.8138 129.0915 60.5218 38.7907 175.0395 27 E 5.0672 8.9940 126.6115 54.4439 31.3202 174.5269 28 A 5.0276 8.6374 125.6543 49.9688 22.5309 174.9389 29 A 4.9571 8.5150 122.1160 49.9289 21.2067 176.9506 30 S 3.7904 8.2932 117.1852 59.1048 63.3010 173.2623 31 T 4.0172 7.7349 118.3695 64.3689 69.5312 173.5847 32 T 3.3577 9.1096 126.4794 63.4518 65.8552 172.2047 33 Q 4.2301 8.0553 128.5433 55.6046 29.0296 176.9226 34 D 4.5209 8.6285 124.0134 56.8261 41.2696 178.5349 35 Q 4.0707 8.1299 117.7833 59.0029 28.6287 176.1935 36 C 5.1845 7.6505 117.6205 59.5056 32.6341 172.2486 37 K 4.9146 8.7277 124.0613 54.8204 36.6589 174.7135 38 L 5.2511 9.2069 125.2600 53.5856 45.6817 175.1636 39 T 5.0189 8.7539 121.1225 61.7718 72.1564 172.7603 40 L 4.9948 9.2339 127.2025 53.8891 46.3530 173.6538 41 D 5.3960 8.4586 123.4452 52.7063 42.7892 175.9732 42 I 4.4914 8.5230 123.1302 59.5054 42.1114 174.4775 43 N 5.6249 8.4082 123.4812 51.6358 38.0497 175.4224 44 V 3.9036 8.1735 119.9123 63.3189 31.4574 175.4732 45 E 4.3380 8.5618 120.6546 58.0109 30.1614 176.6916 46 L 4.5237 7.7101 116.0599 55.1978 42.4180 176.9792 47 F 4.7430 7.6012 119.7848 56.6185 40.0554 171.3098 48 P 4.2485 0.0000 0.0000 62.3734 31.9787 176.0453 49 V 4.1897 7.5043 117.6200 62.0999 34.4954 172.8748 50 A 4.3002 9.2900 125.7998 51.7992 22.3595 175.4677 51 A 3.5289 8.1846 120.4953 51.9685 18.6018 177.7374 52 Q 3.4270 8.3549 123.9356 56.8235 27.4360 174.1655 53 D 4.6689 7.5852 115.3170 54.1585 42.6897 177.3085 54 S 6.0183 8.4440 117.8139 56.6868 62.1633 172.9287 55 L 4.5456 8.1696 127.9838 55.4022 43.6629 175.4635 56 T 5.1108 8.3380 117.7001 62.3761 71.0072 174.0099 57 V 5.0643 9.1949 124.1383 61.7847 35.3427 174.3473 58 T 5.3439 8.7668 122.1659 62.3946 72.7330 172.3233 59 I 4.7322 9.2728 121.9881 57.1888 39.0488 179.7503 60 A 3.8831 8.4130 128.8388 52.7196 18.5607 177.4553 61 S 5.1406 8.1544 108.2324 57.1326 64.8040 173.4105 62 S 4.3834 6.8404 130.5795 59.0508 68.6512 179.4931 63 L 4.0276 8.3413 113.6965 54.2410 38.9715 176.2335 *76 T 4.2036 7.6607 113.6769 62.4187 70.4452 172.0718 77 R 3.9758 8.1952 125.4192 54.9559 29.8870 176.4118 78 S 4.3653 8.3920 114.6819 57.7988 63.7645 173.9991 79 W 4.2930 8.7093 132.5517 57.4324 31.1942 175.4326 80 R 4.2102 7.3908 122.4618 53.8076 32.1673 172.2585 81 P 4.0868 0.0000 0.0000 63.2851 34.2821 177.6590 82 P 4.7829 0.0000 0.0000 60.3760 30.3798 178.6764 83 Q 3.1277 8.7728 111.0544 57.3547 28.3656 175.0306 84 A 4.0199 7.6638 118.7387 53.9230 18.7425 179.3618 85 G 3.3291 7.3939 104.3188 47.7144 0.0000 173.8541 86 D 4.9240 8.2993 118.9667 53.8992 41.2316 176.0382 87 R 4.4434 8.2030 114.4484 54.8333 33.2528 175.3170 88 S 4.7454 7.8868 115.6444 57.3611 66.0459 175.0227 89 L 4.9811 8.1885 120.1338 52.9761 42.0892 177.7388 90 A 4.3799 7.7929 115.6186 53.2995 18.5331 178.4326 91 D 4.8445 8.8323 117.7546 56.2692 40.4127 177.9503 92 D 4.5774 7.9001 117.9911 55.8489 40.5635 175.0848 93 Y 4.7852 7.8156 116.2174 56.4422 40.9717 173.8633 94 D 4.8340 8.5774 118.5128 56.3365 42.0495 176.5871 95 Y 4.0634 7.1445 119.2573 57.2819 40.3577 174.0125 96 V 4.7487 7.0746 124.6648 62.0694 34.7680 172.7995 97 M 4.8806 9.1952 126.6210 53.6150 36.5036 173.5103 98 Y 5.0578 8.3747 119.9293 56.3014 42.0598 174.1249 99 G 3.2023 7.1399 110.9879 45.9845 0.0000 172.1584 100 T 5.2938 8.0865 115.6484 60.8724 71.1979 174.0741 101 A 4.8740 8.5194 126.2404 51.0210 20.4054 175.8322 102 Y 4.6262 7.9145 117.5103 58.0378 39.9499 176.2610 103 K 4.8210 6.8302 118.0877 54.4763 37.0499 174.6515 104 F 4.7478 9.0563 121.3372 55.8479 41.1561 174.9290 105 E 4.7635 8.2347 122.9670 54.1418 33.1076 175.0897 106 E 4.1127 8.8575 122.8923 56.3383 30.1389 177.2706 107 V 3.8858 7.7958 121.9015 62.5216 31.1719 176.9042 108 S 3.7151 8.6908 115.8763 57.2402 65.0355 174.5815 109 K 3.7581 8.3912 123.3071 57.7304 31.7178 177.3964 110 D 4.8737 8.7100 107.6412 49.0146 38.0178 173.9030 111 L 5.5815 6.6747 121.4072 55.3527 45.9566 173.6714 112 I 4.7192 7.6483 124.2165 59.4229 39.2869 175.6376 113 A 4.8935 8.0765 127.8728 51.0979 21.0074 175.9949 114 V 3.7443 7.2641 116.6614 62.0496 35.0143 172.1519 115 Y 4.7245 7.6255 126.0947 56.4894 39.9323 174.1911 116 Y 4.7666 9.3108 122.7254 56.0594 41.4438 174.8074 117 S 4.9052 9.0267 118.0986 56.8694 65.2427 173.0739 118 F 4.7967 9.6950 128.1664 56.6739 37.9050 175.4276 119 G 4.2417 9.3432 112.2481 45.9064 0.0000 170.7842 120 G 3.7631 7.2990 112.5041 45.5302 0.0000 175.4237 121 L 4.2539 8.5196 122.5047 54.4623 42.5048 177.4097 122 L 5.1426 9.9564 125.7249 54.7214 44.0213 175.7016 123 M 5.1882 8.6683 118.4554 54.7705 36.3275 173.2329 124 R 4.7736 9.2052 126.5400 54.2695 33.5046 173.5949 125 L 5.0027 8.4612 127.6816 53.0677 45.5137 174.3297 126 E 4.7540 8.5737 126.9153 53.5534 32.1825 173.0372 127 G 4.0035 8.0139 117.0794 46.1256 0.0000 173.3975 128 N 4.2904 7.7563 125.9984 52.9635 43.9268 175.8418 129 Y 4.2586 7.1022 116.6125 59.8903 37.8262 178.1642 130 R 4.0836 7.3916 119.6852 59.2838 29.8178 177.9490 131 N 4.2149 7.6005 115.5950 56.1646 38.5604 176.1598 132 L 4.5006 7.7664 117.8866 55.5159 42.7587 177.1347 133 N 4.7958 8.1312 113.7536 53.5496 39.3917 174.3653 134 N 5.1051 8.6849 116.7028 50.8552 40.5925 174.6763 135 L 4.2539 8.7166 122.7963 55.3476 42.1381 176.6172 136 K 4.6859 8.4687 116.3055 56.1036 32.8747 174.6980 137 Q 4.5468 7.8383 114.8997 53.5890 32.5187 173.3099 138 E 3.4899 8.4629 116.4088 59.7227 29.9575 175.5709 139 N 4.3106 7.2272 117.3358 50.1711 40.4641 174.1447 140 A 5.5761 8.1629 134.5861 52.7167 21.9878 175.1024 141 Y 5.1461 8.4127 120.1996 56.8553 41.3011 174.9053 142 L 5.0746 8.9341 124.5647 53.3575 44.7124 175.0064 143 L 5.0904 8.7029 126.2586 52.9580 44.8004 175.6826 144 I 5.6638 9.0629 122.8095 58.6221 41.3260 174.5342 145 R 5.0617 8.4092 120.8276 55.6520 33.1735 175.3459 146 R 4.2632 8.7197 119.9108 57.0197 30.8094 176.0888 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 2 S 8.33 4.44 0.00 4.00 4.02 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 3 N 7.70 4.80 0.00 2.81 2.79 0.00 0.00 6.94 6.65 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 4 T 9.03 4.74 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 1.29 0.00 0.00 5 L 8.67 4.80 0.00 1.81 2.19 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.80 4.96 0.00 3.24 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 7 D 7.60 5.17 0.00 2.61 2.33 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 8 D 7.91 4.54 0.00 2.48 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.55 5.14 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.99 0.00 0.00 10 F 9.98 4.96 0.00 2.93 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 11 Q 8.76 4.93 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 12 V 8.66 4.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 13 S 8.57 4.58 0.00 3.87 3.99 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 14 E 7.90 4.72 0.00 2.01 1.75 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 2.26 2.29 0.00 15 V 8.22 4.28 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 0.78 0.00 0.00 0.89 0.00 0.00 16 D 9.10 4.84 0.00 2.80 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 17 P 0.00 4.87 0.00 2.11 2.03 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 18 G 7.77 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 19 R 8.20 3.95 0.00 2.06 2.04 0.00 3.28 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 1.51 1.57 0.00 20 Y 7.91 4.52 0.00 3.11 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 21 N 8.77 4.68 0.00 2.73 2.89 0.00 0.00 6.93 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.06 4.72 0.00 1.84 1.81 0.00 1.63 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 23 V 8.06 4.98 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 0.76 0.00 0.00 1.02 0.00 0.00 24 C 8.82 4.94 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.88 4.76 0.00 1.69 1.71 0.00 3.03 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 I 8.81 4.51 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.32 0.84 0.00 0.00 27 E 8.99 5.07 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 28 A 8.64 5.03 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 29 A 8.52 4.96 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 30 S 8.29 3.79 0.00 3.31 3.84 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 31 T 7.73 4.02 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 1.16 0.00 0.00 32 T 9.11 3.36 4.17 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 1.16 0.00 0.00 33 Q 8.06 4.23 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 34 D 8.63 4.52 0.00 2.67 2.75 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 35 Q 8.13 4.07 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 36 C 7.65 5.18 0.00 3.20 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 37 K 8.73 4.91 0.00 1.72 1.66 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.67 7.81 38 L 9.21 5.25 0.00 1.47 1.40 0.73 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.75 5.02 4.20 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 0.00 0.00 0.00 1.20 0.00 0.00 40 L 9.23 4.99 0.00 1.53 1.31 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.46 5.40 0.00 2.64 2.52 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 42 I 8.52 4.49 1.71 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.86 0.53 0.00 0.00 43 N 8.41 5.62 0.00 2.97 2.99 0.00 0.00 6.74 7.37 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 44 V 8.17 3.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.89 0.00 0.00 45 E 8.56 4.34 0.00 2.02 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 0.00 2.30 2.29 0.00 46 L 7.71 4.52 0.00 1.86 1.85 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.60 4.74 0.00 3.28 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 48 P 0.00 4.25 0.00 1.90 1.86 0.00 3.52 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 1.95 2.15 0.00 49 V 7.50 4.19 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 0.66 0.00 0.00 0.72 0.00 0.00 50 A 9.29 4.30 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.18 3.53 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 52 Q 8.35 3.43 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 53 D 7.59 4.67 0.00 2.70 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 54 S 8.44 6.02 0.00 3.91 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 55 L 8.17 4.55 0.00 1.75 1.75 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.34 5.11 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 1.35 0.00 0.00 57 V 9.19 5.06 2.40 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 1.00 0.00 0.00 0.84 0.00 0.00 58 T 8.77 5.34 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 1.33 0.00 0.00 59 I 9.27 4.73 2.02 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.78 0.86 0.00 0.00 60 A 8.41 3.88 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 61 S 8.15 5.14 0.00 4.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 6.84 4.38 0.00 3.87 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 63 L 8.34 4.03 0.00 1.57 1.60 0.89 0.74 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 *76 T 7.66 4.20 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 1.27 0.00 0.00 77 R 8.20 3.98 0.00 1.99 1.96 0.00 3.23 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 78 S 8.39 4.37 0.00 4.05 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 79 W 8.71 4.29 0.00 3.22 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 80 R 7.39 4.21 0.00 1.45 1.48 0.00 3.12 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 81 P 0.00 4.09 0.00 1.85 1.71 0.00 3.37 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.40 0.00 82 P 0.00 4.78 0.00 2.17 1.68 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 83 Q 8.77 3.13 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 84 A 7.66 4.02 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 85 G 7.39 3.33 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 86 D 8.30 4.92 0.00 2.57 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 87 R 8.20 4.44 0.00 1.80 1.69 0.00 3.16 0.00 0.00 3.24 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 88 S 7.89 4.75 0.00 3.94 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 89 L 8.19 4.98 0.00 1.67 1.59 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.79 4.38 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.83 4.84 0.00 2.72 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 92 D 7.90 4.58 0.00 2.58 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 93 Y 7.82 4.79 0.00 2.86 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 94 D 8.58 4.83 0.00 2.62 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 95 Y 7.14 4.06 0.00 1.43 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 0.00 0.00 0.00 0.00 96 V 7.07 4.75 1.96 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 0.81 0.00 0.00 0.85 0.00 0.00 97 M 9.20 4.88 0.00 1.80 1.27 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.93 0.00 98 Y 8.37 5.06 0.00 2.40 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.14 3.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.09 5.29 4.10 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 1.16 0.00 0.00 101 A 8.52 4.87 0.95 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 0.00 102 Y 7.91 4.63 0.00 2.94 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 0.00 103 K 6.83 4.82 0.00 1.62 1.70 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.56 7.81 104 F 9.06 4.75 0.00 2.77 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 0.00 105 E 8.23 4.76 0.00 2.22 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 2.25 2.31 0.00 106 E 8.86 4.11 0.00 1.94 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 2.41 2.33 0.00 107 V 7.80 3.89 2.25 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 0.83 0.00 0.00 0.98 0.00 0.00 108 S 8.69 3.72 0.00 4.15 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 0.00 109 K 8.39 3.76 0.00 1.90 0.95 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.42 7.81 110 D 8.71 4.87 0.00 2.79 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 0.00 111 L 6.67 5.58 0.00 1.61 1.58 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.65 4.72 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.23 1.04 0.00 0.00 113 A 8.08 4.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.26 3.74 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.72 0.00 0.00 115 Y 7.63 4.72 0.00 1.81 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 0.00 0.00 0.00 0.00 116 Y 9.31 4.77 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 9.03 4.91 0.00 3.84 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 0.00 118 F 9.70 4.80 0.00 3.22 3.03 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 0.00 119 G 9.34 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 0.00 0.00 0.00 0.00 120 G 7.30 3.76 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 0.00 0.00 0.00 121 L 8.52 4.25 0.00 1.71 1.82 0.99 0.93 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 0.00 122 L 9.96 5.14 0.00 1.76 1.72 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.67 5.19 0.00 2.40 1.91 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 124 R 9.21 4.77 0.00 1.74 1.58 0.00 3.07 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 125 L 8.46 5.00 0.00 1.58 1.21 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.57 4.75 0.00 2.01 1.75 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 2.15 2.15 0.00 127 G 8.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.76 4.29 0.00 2.66 2.75 0.00 0.00 6.66 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 0.00 129 Y 7.10 4.26 0.00 3.37 3.29 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 0.00 130 R 7.39 4.08 0.00 1.78 2.09 0.00 2.93 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.02 0.00 131 N 7.60 4.21 0.00 2.66 2.93 0.00 0.00 6.94 8.56 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 0.00 132 L 7.77 4.50 0.00 1.74 1.77 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.13 4.80 0.00 2.97 3.40 0.00 0.00 6.76 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.68 5.11 0.00 2.98 2.98 0.00 0.00 6.96 8.51 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 0.00 135 L 8.72 4.25 0.00 1.81 1.87 1.08 0.91 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 0.00 136 K 8.47 4.69 0.00 1.59 1.70 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.26 7.81 137 Q 7.84 4.55 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 138 E 8.46 3.49 0.00 1.98 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 2.33 2.26 0.00 139 N 7.23 4.31 0.00 2.91 3.00 0.00 0.00 6.73 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.16 5.58 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 0.00 141 Y 8.41 5.15 0.00 2.95 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 0.00 142 L 8.93 5.07 0.00 1.55 1.08 0.83 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.70 5.09 0.00 0.66 0.36 0.70 0.57 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 0.00 144 I 9.06 5.66 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.94 1.04 0.00 0.00 145 R 8.41 5.06 0.00 1.84 2.06 0.00 2.86 0.00 0.00 2.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 146 R 8.72 4.26 0.00 1.99 1.99 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.