NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2655 8.1914 121.7122 56.1454 30.9149 176.5956 1A G 3.5892 8.0827 104.9076 46.5938 0.0000 172.8360 1B A 4.2014 7.9870 126.8177 51.7441 16.9309 176.5284 2 A 3.8889 8.0905 124.2786 51.8024 18.4385 179.4217 3 V 3.7235 7.3668 115.4994 63.5476 32.1607 174.9181 4 E 4.4089 8.9099 125.6062 57.1950 32.2458 175.4168 5 Y 5.3371 8.5486 116.0340 55.9518 41.8891 174.6688 6 L 5.1909 8.7829 123.9237 53.4380 44.6017 175.0375 7 V 4.8640 8.9117 127.3654 61.4440 33.1904 176.0172 8 D 4.3623 8.2738 128.4649 51.9898 42.6015 176.8637 9 A 3.9069 7.9334 120.0558 55.5611 18.2120 179.8394 10 S 4.0187 7.9614 112.0879 61.4994 62.8971 176.4802 11 A 3.9450 8.4892 124.5453 54.6471 18.2760 179.0564 12 L 3.6536 7.9820 119.1172 58.4871 41.8594 178.7496 13 Y 3.8390 8.2128 118.9268 60.7723 38.9416 177.8303 14 A 4.0787 7.9108 121.7054 55.2212 18.4681 179.6311 15 L 4.1427 8.7730 117.7384 57.6741 41.4662 179.0598 16 A 4.6337 8.1009 118.9488 53.8626 18.3720 178.1642 17 A 4.5763 7.7139 117.4277 52.1387 19.8595 176.7957 18 H 5.0903 8.9351 115.9052 55.8890 30.5462 175.5062 19 Y 3.2121 8.3835 120.6503 60.8804 38.9387 177.8522 20 D 4.1595 8.0951 118.3167 57.3406 40.9987 178.3443 21 K 4.1987 7.8688 116.8954 57.7430 32.3833 177.3864 22 W 5.1407 7.5340 113.5458 55.3624 29.7578 177.0987 23 I 3.2256 6.8229 120.8216 64.1886 36.4493 177.7963 24 K 3.9769 7.7316 117.1784 58.8470 32.6631 176.8942 25 H 4.9183 8.5038 117.0269 55.3208 29.7272 175.5927 26 R 3.8870 8.1276 119.4511 59.5377 28.9580 178.7132 27 E 4.0445 8.1434 116.1848 58.4803 29.6878 177.8885 28 K 4.4686 8.6683 117.9422 57.4254 32.4741 176.1754 29 L 5.2954 7.8366 119.3673 53.4374 43.9301 175.5562 30 A 5.1780 9.0413 122.9955 50.7155 23.5361 174.6343 31 I 4.9596 8.8304 111.9925 59.6631 41.9324 173.7902 32 L 4.9470 8.5456 121.0574 52.9806 43.7933 178.0239 33 H 4.0441 8.9075 118.1372 59.0698 29.2206 177.7016 34 L 4.1101 8.1042 120.5024 58.4725 41.8439 178.6555 35 T 3.9681 8.1227 115.8993 66.9988 68.3266 176.3190 36 I 3.6212 7.3864 120.0109 64.6256 37.1109 178.1896 37 Y 3.9984 7.7170 116.9009 60.9714 37.8326 177.9721 38 E 3.9701 8.6809 119.7167 59.3396 29.5959 179.2550 39 A 4.1547 8.6356 121.2277 55.0799 18.4599 179.7708 40 G 3.6342 8.3043 104.3769 48.2560 0.0000 175.4467 41 N 4.4950 8.8783 120.2054 55.9451 38.3735 176.8724 42 A 3.9848 8.0383 122.5444 55.1104 18.5487 179.4181 43 L 4.4324 8.1785 120.2510 57.4068 42.0663 178.9589 44 W 4.1966 8.5002 128.7225 60.3533 30.5812 178.0885 45 K 3.4013 8.0828 117.9640 59.4184 31.2550 179.2276 46 E 3.9488 7.7333 116.8780 59.1864 29.6132 178.9571 47 A 4.1603 7.8238 120.9652 54.9609 18.1868 179.6282 48 R 3.5474 7.4498 116.7256 59.2823 30.0763 178.0711 49 L 4.2854 7.8017 116.4033 53.6026 42.1099 174.3405 50 G 3.8664 7.4659 114.0002 44.3945 0.0000 172.9303 51 R 4.0233 8.5109 120.3657 54.6038 28.9454 172.8424 52 V 3.8115 7.9718 119.3976 63.8541 30.7854 176.5616 53 D 5.6679 8.6310 135.0000 52.7509 39.5496 178.5071 54 W 4.6167 7.3118 117.0458 60.2355 27.7511 177.9852 55 A 3.4096 6.2017 120.6499 54.3068 17.6773 179.2857 56 A 3.7494 7.5327 118.3524 55.2840 18.5354 179.2365 57 A 3.9646 9.1390 120.0628 55.6522 18.3868 180.0773 58 S 4.1545 8.8199 112.8890 61.3586 63.0886 176.6010 59 R 3.8445 7.9436 122.3860 59.5644 29.7846 177.9542 60 H 4.0601 8.3264 117.9398 59.2074 29.6453 176.8789 61 L 3.8575 7.9590 121.1401 57.9257 41.9532 178.3939 62 K 4.0463 8.2566 119.0843 59.4506 32.1762 178.2507 63 K 4.0762 7.6713 118.4788 59.4692 32.5296 179.7594 64 V 3.8495 8.0487 116.9639 64.4708 30.6193 176.1305 66 S 3.6737 8.4074 109.3565 60.2201 63.9077 174.0999 67 S 4.3555 8.0565 119.2516 60.8413 62.7803 174.2990 68 F 4.8265 7.7238 116.4276 55.8945 40.2634 176.1672 69 K 4.2985 8.5175 122.8318 56.3844 33.6810 175.8515 70 V 4.7261 8.1213 124.8560 60.8997 33.2317 175.2012 71 L 4.3444 8.7836 128.7868 54.3556 42.6071 176.5837 72 E 4.2876 8.5345 120.8703 55.4132 30.3772 175.9288 73 D 4.4753 8.6072 124.7459 54.3131 41.4451 174.9039 74 P 4.6371 0.0000 0.0000 61.0406 32.7146 174.3610 75 P 4.3469 0.0000 0.0000 62.2620 31.2713 177.2321 76 L 4.1105 8.7929 126.4746 58.2921 41.5437 177.1531 77 D 4.3199 7.7476 116.4477 57.6842 41.9410 177.0182 78 E 3.8884 8.0124 117.1775 59.5770 29.8431 180.6598 79 V 3.2571 7.0140 116.4534 63.3848 31.6303 177.5410 *81 R 4.2302 8.1460 119.7619 55.8430 31.7757 177.6000 82 V 3.6409 7.7129 116.3707 65.7507 31.4188 177.7173 83 A 3.9842 8.3984 121.0136 55.2583 18.1186 179.7910 84 V 3.4940 7.6936 115.9762 66.3863 31.6437 177.9601 85 E 4.0596 8.5328 117.3685 58.5597 29.3520 178.6096 86 R 4.5880 7.9543 115.2222 54.7347 31.0070 175.9786 87 G 3.8604 7.8861 106.5764 46.7474 0.0000 173.9021 88 L 4.6524 7.6193 118.6196 52.5351 44.2979 177.1461 89 T 4.2951 7.9415 111.0128 61.1914 71.4341 175.0191 90 F 4.1277 8.4934 121.3034 61.4729 39.0280 176.6605 91 Y 4.3619 7.8803 115.9503 61.4110 37.8827 177.8585 92 D 4.6039 8.5681 119.6056 57.6322 41.0036 178.8762 93 A 4.0023 7.9736 120.8871 55.2360 18.2249 179.5712 94 S 3.8465 7.7391 113.5230 62.1216 62.8410 176.7703 95 Y 3.9794 7.6597 118.3830 61.0160 37.5862 178.4464 96 A 4.0503 8.1133 121.6839 55.5305 18.4375 178.7678 97 Y 3.9338 8.6394 118.4205 60.6235 38.8277 178.0314 98 V 3.4611 8.5755 120.2026 65.2211 31.6742 177.8082 99 A 3.9718 8.2774 120.4904 55.4198 18.1842 179.3960 100 E 3.8266 8.2808 116.8247 59.6374 29.3473 179.7921 101 S 3.9578 8.2471 114.4105 61.1776 62.5019 175.7076 102 S 4.5171 8.0433 116.2022 57.1281 64.1227 173.6724 103 G 3.7880 8.1594 110.1312 46.3778 0.0000 172.3046 104 L 4.8179 7.9587 116.2648 52.9638 47.2277 178.0020 105 V 4.1098 8.0886 120.5884 61.5866 32.9770 174.6437 106 L 4.7233 8.5656 130.8450 54.8765 43.6137 175.2729 107 V 4.6616 9.4371 128.1269 61.7811 33.0043 174.3366 108 T 4.9724 8.5877 122.0110 60.8067 70.8711 173.9443 109 Q 4.2613 8.7371 125.9186 56.4947 29.9973 175.7722 110 D 4.4435 8.0003 118.1969 54.2843 41.9067 176.4456 111 R 3.8928 8.6802 127.0872 59.3283 30.1492 178.5401 112 E 3.9160 8.5066 118.9625 59.4330 29.8817 178.9588 113 L 4.0309 8.0997 118.5157 57.5643 41.4756 179.0812 114 L 4.0346 7.9614 119.5509 58.1688 42.1170 178.6690 115 A 4.1889 7.9645 119.5995 54.4053 18.3357 178.7496 116 K 4.5262 7.8183 114.3546 55.3285 32.7936 176.3135 117 T 4.6446 7.1174 115.7732 61.2097 71.2016 173.2140 118 K 3.9704 8.8928 126.3976 59.5799 31.5059 177.2281 119 G 3.9027 8.8796 112.4771 44.5696 0.0000 172.2881 120 A 4.5934 7.4150 121.0218 52.2134 19.2567 177.0900 121 I 4.7883 8.5652 112.5451 59.5312 42.1248 174.2170 122 D 5.7604 8.2863 122.5216 51.4192 42.0125 177.2490 123 V 3.5568 8.7298 117.3315 65.9461 31.3131 177.8273 124 E 3.9363 8.0925 117.0330 59.7400 29.5709 178.9059 125 T 3.8457 7.8157 117.1082 66.2310 68.4759 176.1429 126 L 3.7799 7.7697 121.8660 58.2117 42.1297 179.0917 127 L 3.9760 7.8655 118.6806 57.6444 41.2365 179.8674 128 V 3.7339 7.4526 111.4123 64.0673 31.9874 178.4262 129 R 4.0969 7.9712 117.9470 59.2765 29.8547 179.1289 130 L 3.8546 8.1411 118.7123 57.5873 41.4318 179.2044 131 A 4.0588 7.8673 118.7847 54.0710 18.3302 178.3147 132 A 4.4664 7.5787 117.2184 52.4983 20.0621 176.9122 133 Q 4.1598 8.0266 121.0178 56.1633 28.9397 175.6274 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 Q 8.19 4.27 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 1A G 8.08 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 1B A 7.99 4.20 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.09 3.89 1.50 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 3 V 7.37 3.72 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 0.83 0.00 0.00 1.03 0.00 0.00 4 E 8.91 4.41 0.00 1.80 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 2.13 2.41 0.00 5 Y 8.55 5.34 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.78 5.19 0.00 1.82 1.58 1.03 0.78 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 7 V 8.91 4.86 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 0.62 0.00 0.00 0.95 0.00 0.00 8 D 8.27 4.36 0.00 1.58 1.84 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 9 A 7.93 3.91 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.96 4.02 0.00 4.00 4.05 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 11 A 8.49 3.95 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 12 L 7.98 3.65 0.00 1.72 1.83 0.93 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.21 3.84 0.00 3.25 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 14 A 7.91 4.08 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 15 L 8.77 4.14 0.00 1.78 1.42 0.43 0.75 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 16 A 8.10 4.63 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 17 A 7.71 4.58 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 18 H 8.94 5.09 0.00 3.41 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.38 3.21 0.00 2.91 2.83 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 20 D 8.10 4.16 0.00 2.65 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 21 K 7.87 4.20 0.00 1.99 1.93 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.37 7.81 22 W 7.53 5.14 0.00 3.43 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 23 I 6.82 3.23 1.43 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.36 0.18 0.00 0.00 24 K 7.73 3.98 0.00 1.71 1.78 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.17 0.85 7.81 25 H 8.50 4.92 0.00 3.31 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.13 3.89 0.00 2.05 2.26 0.00 2.76 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 27 E 8.14 4.04 0.00 1.99 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 0.00 2.33 2.34 0.00 28 K 8.67 4.47 0.00 2.10 2.10 0.00 1.83 0.00 0.00 2.02 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.48 7.81 29 L 7.84 5.30 0.00 1.47 1.86 0.86 0.55 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 30 A 9.04 5.18 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 31 I 8.83 4.96 1.81 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 1.42 1.29 0.53 0.00 0.00 32 L 8.55 4.95 0.00 1.43 1.45 0.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.91 4.04 0.00 3.37 3.52 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.10 4.11 0.00 1.59 1.56 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.12 3.97 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 36 I 7.39 3.62 1.56 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 1.45 0.56 0.65 0.00 0.00 37 Y 7.72 4.00 0.00 3.19 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 38 E 8.68 3.97 0.00 2.12 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 2.35 2.24 0.00 39 A 8.64 4.15 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 40 G 8.30 3.63 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 0.00 0.00 0.00 41 N 8.88 4.49 0.00 2.89 2.93 0.00 0.00 7.20 8.60 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 42 A 8.04 3.98 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 43 L 8.18 4.43 0.00 2.11 2.10 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.50 4.20 0.00 3.45 3.43 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 0.00 45 K 8.08 3.40 0.00 2.04 1.75 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.41 1.81 7.81 46 E 7.73 3.95 0.00 2.15 2.06 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 0.00 2.39 2.62 0.00 47 A 7.82 4.16 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 48 R 7.45 3.55 0.00 1.12 1.54 0.00 3.18 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.66 0.00 49 L 7.80 4.29 0.00 1.57 1.61 0.87 0.73 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 50 G 7.47 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.51 4.02 0.00 2.12 2.30 0.00 3.03 0.00 0.00 3.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 52 V 7.97 3.81 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 0.77 0.00 0.00 0.93 0.00 0.00 53 D 8.63 5.67 0.00 2.91 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 7.31 4.62 0.00 3.70 3.44 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 55 A 6.20 3.41 0.19 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 0.00 0.00 56 A 7.53 3.75 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 57 A 9.14 3.96 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 58 S 8.82 4.15 0.00 4.18 4.48 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 59 R 7.94 3.84 0.00 2.15 2.00 0.00 3.05 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 60 H 8.33 4.06 0.00 3.21 3.44 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.96 3.86 0.00 1.88 1.72 1.09 1.00 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 62 K 8.26 4.05 0.00 1.90 2.09 0.00 1.89 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.48 7.81 63 K 7.67 4.08 0.00 1.74 1.87 0.00 1.24 0.00 0.00 1.17 0.00 0.00 2.74 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.41 1.35 7.81 64 V 8.05 3.85 2.32 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 1.66 0.00 0.00 0.81 0.00 0.00 66 S 8.41 3.67 0.00 4.19 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 0.00 67 S 8.06 4.36 0.00 4.38 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 68 F 7.72 4.83 0.00 2.84 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 69 K 8.52 4.30 0.00 1.96 1.89 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.48 7.81 70 V 8.12 4.73 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 0.63 0.00 0.00 0.94 0.00 0.00 71 L 8.78 4.34 0.00 1.54 1.62 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.53 4.29 0.00 1.95 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 2.32 2.37 0.00 73 D 8.61 4.48 0.00 2.74 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 74 P 0.00 4.64 0.00 2.01 2.21 0.00 3.68 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 1.95 2.11 0.00 75 P 0.00 4.35 0.00 2.08 1.99 0.00 3.55 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 76 L 8.79 4.11 0.00 1.68 1.76 0.80 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.75 4.32 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.01 3.89 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 2.27 2.15 0.00 79 V 7.01 3.26 1.80 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 0.06 0.00 0.00 0.69 0.00 0.00 *81 R 8.15 4.23 0.00 1.89 2.02 0.00 3.24 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 82 V 7.71 3.64 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 1.00 0.00 0.00 1.04 0.00 0.00 83 A 8.40 3.98 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 0.00 0.00 84 V 7.69 3.49 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 1.07 0.00 0.00 0.95 0.00 0.00 85 E 8.53 4.06 0.00 2.06 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 2.36 2.43 0.00 86 R 7.95 4.59 0.00 1.86 1.94 0.00 3.30 0.00 0.00 3.36 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 87 G 7.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.62 4.65 0.00 1.67 1.62 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.94 4.30 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 1.20 0.00 0.00 90 F 8.49 4.13 0.00 3.11 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 91 Y 7.88 4.36 0.00 3.07 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 92 D 8.57 4.60 0.00 2.78 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 93 A 7.97 4.00 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 94 S 7.74 3.85 0.00 3.79 3.60 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 95 Y 7.66 3.98 0.00 3.26 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 96 A 8.11 4.05 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 97 Y 8.64 3.93 0.00 3.04 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 98 V 8.58 3.46 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 1.14 0.00 0.00 0.98 0.00 0.00 99 A 8.28 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.28 3.83 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 101 S 8.25 3.96 0.00 3.56 3.08 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 0.00 0.00 0.00 102 S 8.04 4.52 0.00 3.92 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 0.00 103 G 8.16 3.79 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 0.00 0.00 0.00 104 L 7.96 4.82 0.00 1.46 1.61 0.92 0.66 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 0.00 105 V 8.09 4.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.83 0.00 0.00 106 L 8.57 4.72 0.00 1.81 1.56 0.95 0.88 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 0.00 107 V 9.44 4.66 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 0.76 0.00 0.00 0.99 0.00 0.00 108 T 8.59 4.97 4.15 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 1.23 0.00 0.00 109 Q 8.74 4.26 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 110 D 8.00 4.44 0.00 2.72 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 0.00 111 R 8.68 3.89 0.00 1.93 1.97 0.00 3.34 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 112 E 8.51 3.92 0.00 2.10 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 0.00 2.31 2.40 0.00 113 L 8.10 4.03 0.00 1.71 1.69 0.95 0.60 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 0.00 114 L 7.96 4.03 0.00 1.86 1.70 0.97 1.19 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 0.00 115 A 7.96 4.19 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 0.00 116 K 7.82 4.53 0.00 1.76 1.84 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.56 7.81 117 T 7.12 4.64 4.30 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 0.00 0.00 1.23 0.00 0.00 118 K 8.89 3.97 0.00 1.90 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.47 1.39 7.81 119 G 8.88 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 0.00 120 A 7.42 4.59 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 0.00 121 I 8.57 4.79 1.90 0.00 0.00 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 1.36 0.69 0.99 0.00 0.00 122 D 8.29 5.76 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.73 3.56 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 1.05 0.00 0.00 0.92 0.00 0.00 124 E 8.09 3.94 0.00 2.24 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 0.00 2.61 2.49 0.00 125 T 7.82 3.85 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 0.00 126 L 7.77 3.78 0.00 1.57 1.69 -0.17 0.36 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 0.00 127 L 7.87 3.98 0.00 1.90 1.71 0.98 1.10 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 0.00 128 V 7.45 3.73 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 0.73 0.00 0.00 0.98 0.00 0.00 129 R 7.97 4.10 0.00 2.05 2.07 0.00 3.36 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 130 L 8.14 3.85 0.00 1.61 1.44 0.90 0.71 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 0.00 131 A 7.87 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.58 4.47 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 0.00 133 Q 8.03 4.16 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.49 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 * Residues marked with a * may have inaccurate shift predictions.