NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *13 E 4.3012 8.5445 116.7553 56.0583 31.8468 176.6948 14 C 4.3187 7.9041 116.9208 57.8338 29.0237 172.4009 15 V 3.3351 7.8251 119.0312 66.7850 31.8190 176.8446 16 Q 3.8870 8.0323 118.8554 59.3013 28.7509 178.1088 17 Q 3.8838 7.7087 119.7374 59.2724 28.9716 178.3589 18 L 3.8802 7.7649 119.1077 57.8619 41.8530 179.0612 19 L 3.9274 7.8233 118.7921 58.2509 41.5982 180.2576 20 V 3.9593 7.5921 113.1330 64.1983 31.4695 178.4874 21 C 4.7174 8.2714 118.0556 62.2432 28.0419 176.2100 22 S 4.2245 8.3715 116.0761 61.0610 62.6236 176.4140 23 Q 4.0870 7.9169 121.4491 58.2612 28.6202 178.2353 24 E 3.9449 8.2572 119.7501 59.4308 29.5866 178.9343 25 A 3.9997 8.0517 120.7897 55.2400 18.3073 179.4794 26 K 3.9660 8.1624 119.8654 60.2297 31.8845 179.5794 27 Q 4.1726 8.1326 122.8857 60.3243 28.0839 182.2318 28 S 4.6862 7.7738 113.0632 58.0070 62.6264 177.7936 29 A 4.1116 7.5975 123.9103 53.9078 18.5567 177.7848 30 Y 4.6135 8.5795 125.1273 55.7655 38.5973 174.6564 31 C 5.1650 7.5688 123.5973 55.7047 29.7789 174.3736 32 P 3.8875 0.0000 0.0000 65.9409 31.6244 177.7675 33 Y 4.2106 7.6252 115.9970 59.4706 38.3376 176.3008 34 S 4.4272 7.9940 112.4037 57.8420 64.2544 174.3953 35 H 4.1479 8.1893 116.1211 56.5510 26.6067 175.2916 36 F 4.6048 7.7734 123.5060 55.3038 38.0828 172.9919 37 P 4.3897 0.0000 0.0000 62.2639 32.4569 176.1478 38 V 4.6382 8.3564 120.4760 61.5270 35.1054 173.6747 39 G 4.6525 9.5580 113.9454 44.6456 0.0000 171.2440 40 A 5.3977 9.0956 121.4194 50.3638 23.4667 175.2542 41 A 5.0012 9.1017 122.6840 50.0972 22.1040 174.7877 42 L 4.7986 9.4134 126.4549 53.9859 44.1642 174.8871 43 L 5.1746 9.0761 129.0905 53.6739 44.1376 175.9750 44 T 4.8682 8.7677 119.4128 61.3349 70.7296 176.4752 45 Q 4.1286 8.7318 122.6108 58.8858 27.9885 177.7488 46 E 4.0119 8.4749 117.7577 58.0703 29.6388 177.9413 47 G 4.0383 7.9540 105.8277 44.9310 0.0000 173.9301 48 R 4.0293 7.7765 120.6163 55.9261 30.7752 174.6937 49 I 5.0243 7.7530 123.2819 59.4775 39.8470 174.7345 50 F 4.5972 9.3202 125.7014 55.6009 41.3028 174.9287 51 K 4.9873 8.6542 122.7313 55.3572 34.2037 175.8773 52 G 4.4236 8.7580 108.5108 45.5707 0.0000 171.5585 53 C 5.9939 8.6584 115.1802 55.0910 34.2152 172.4896 54 N 4.8752 8.6836 116.4482 52.9140 38.8158 174.4089 55 I 4.7369 8.9634 121.9985 59.8486 40.4338 175.1131 56 E 4.8498 9.0923 127.4504 55.7727 30.9213 175.7480 57 N 5.0708 8.2947 117.0402 51.9899 42.0448 173.5751 58 A 3.4447 8.8649 127.1587 55.2635 18.5850 177.7680 59 C 4.3724 9.1524 118.3285 58.1946 30.4444 174.2154 60 Y 4.0802 8.2315 123.6138 60.2378 37.9758 177.2923 61 P 4.2215 0.0000 0.0000 65.7127 31.4148 177.2892 62 L 4.2292 8.3820 115.7461 55.3487 41.5745 176.9352 63 G 4.0328 7.9828 107.4802 46.0283 0.0000 172.7919 64 I 4.8580 8.6168 118.6338 59.4993 41.9375 174.3876 65 C 4.7651 8.7010 124.8919 59.1261 29.7998 174.7663 66 A 4.3252 8.5957 123.1714 54.9746 18.1230 179.8265 67 E 3.9352 8.1728 116.6487 59.6388 29.5467 179.4139 68 R 3.9629 8.0024 118.1456 59.8431 30.2382 178.5088 69 T 3.8595 8.0306 115.3378 66.3799 68.2827 176.6358 70 A 3.9604 7.9343 122.4693 55.1427 18.5252 179.7253 71 I 3.1835 7.6994 118.3164 64.6094 37.2804 178.8001 72 Q 4.1652 8.4729 121.5753 59.2981 28.2388 179.6940 73 K 3.9786 7.7520 123.8485 59.6017 32.0592 181.4493 74 A 2.5800 7.6700 122.6244 54.4075 18.2614 180.0015 75 V 3.7002 8.2570 118.6420 65.2812 31.3466 177.6937 76 S 4.4394 7.7927 111.6169 59.5838 63.2173 174.8723 77 E 4.6765 8.2528 121.2254 56.0252 30.2936 176.4507 78 G 3.8164 8.0194 107.5649 45.1064 0.0000 172.9908 79 Y 4.3447 7.8833 118.2721 56.7359 38.3185 175.7917 80 K 3.7712 8.5350 124.6128 56.0342 34.1821 176.7375 81 D 4.3532 7.4887 119.1618 51.3362 40.1325 179.2994 82 F 5.3181 7.3495 126.1204 56.1344 40.0041 176.9159 83 R 4.5142 8.9579 122.5487 58.4267 30.9842 174.8252 84 A 5.0105 7.5569 117.4385 52.0545 22.5667 175.0192 85 I 5.2039 8.4786 117.7950 59.5813 42.1681 173.5286 86 A 5.3850 8.9646 129.3551 50.2572 21.9160 174.9180 87 I 4.9907 8.9920 122.8777 59.4695 40.3701 174.7328 88 A 4.9435 9.4889 127.7629 50.4106 22.6122 175.1191 89 S 4.6901 8.4207 114.0858 57.2195 66.6722 173.3449 90 D 4.6770 7.9294 116.6031 54.2367 40.6932 176.4045 91 M 4.3316 7.5444 119.4572 55.3013 33.0982 175.6447 92 Q 4.2873 8.7562 125.8828 58.5542 30.2379 177.1533 *93 D 4.7528 7.9416 112.6311 53.2739 39.9799 176.9514 94 D 4.7878 7.3522 117.1051 53.5242 44.3346 174.7312 95 F 4.5187 8.6662 123.3996 57.3194 40.1996 175.1857 96 I 4.2038 8.6736 123.1373 60.6800 37.9222 174.8082 97 S 4.9590 8.6038 124.9473 55.7005 63.8934 172.1111 98 P 4.9676 0.0000 0.0000 62.2966 32.0016 176.4549 99 C 4.5614 8.4734 116.0615 57.3922 31.9372 174.6938 100 G 3.8225 8.6987 107.8777 48.1808 0.0000 175.2735 101 A 4.1855 7.9572 122.3248 55.3421 18.5571 179.4300 102 C 4.2018 8.0995 114.5714 63.0307 28.2197 176.4411 103 R 3.9853 8.1409 119.6246 58.8155 29.3638 178.5796 104 Q 4.1052 7.8242 118.8832 58.5632 29.2239 177.6880 105 V 3.9467 7.7137 119.1035 65.8435 31.6608 177.6479 106 M 4.5842 8.2763 118.5686 58.7955 31.9429 178.4664 107 R 4.2598 7.9430 119.9645 58.9494 29.8800 177.8037 108 E 3.8444 7.8193 118.0149 58.3186 29.4192 177.4236 109 F 4.8328 9.1345 114.9630 55.5351 39.8313 175.2036 110 G 5.0174 6.9951 116.0904 45.9817 0.0000 173.4355 111 T 4.3332 8.2628 112.7189 61.7198 71.7216 175.4377 112 N 4.9057 8.4343 118.8547 52.1990 38.7429 178.6612 113 W 5.0611 7.8956 117.3640 55.2072 30.8844 173.9572 114 P 4.3478 0.0000 0.0000 63.0238 32.2530 175.0213 115 V 4.5315 8.3584 122.6116 61.4075 34.2297 174.0035 116 Y 4.5973 9.4474 128.1705 57.2419 38.8777 175.0792 117 M 4.8653 8.8133 126.6734 54.4512 32.6922 176.5220 118 T 5.3027 8.4590 115.4401 60.7170 71.8810 173.5918 119 K 4.8880 8.7410 119.7461 53.7703 35.6216 176.0432 120 P 4.2440 0.0000 0.0000 65.9030 31.3362 177.7528 121 D 4.4050 7.9064 115.8983 54.1350 39.7100 176.5503 122 G 4.0467 7.8465 106.6573 45.6559 0.0000 174.4362 123 T 4.2056 9.1745 111.5538 61.8644 69.7006 172.8080 124 Y 5.5815 7.3512 119.1102 56.7242 40.7008 172.9697 125 I 4.6995 8.3220 113.4316 58.9093 40.7064 174.7183 126 V 4.9570 8.2751 122.8437 59.4693 33.9263 174.5893 127 M 5.0510 8.0630 121.3082 54.0888 36.8684 174.7467 128 T 4.6863 8.8415 111.6739 59.8601 70.5460 176.0089 129 V 3.2938 7.8264 120.9114 66.1219 30.9967 178.0403 130 Q 3.9152 7.6323 116.8464 59.0823 28.6682 178.3210 131 E 4.0666 7.6837 117.7544 59.3552 29.5207 179.1223 132 L 4.2153 7.6990 118.1993 55.9198 43.1026 177.1173 133 L 4.7281 7.5895 119.5638 52.1821 41.7595 173.9245 134 P 4.3838 0.0000 0.0000 63.3605 32.5158 176.6386 135 S 3.6762 8.6574 112.2346 59.0290 60.8614 172.6425 136 S 4.3336 7.9232 111.4118 58.0505 63.6549 173.3049 137 F 4.5231 8.5902 124.0041 57.7213 40.3440 174.7596 138 G 3.9700 7.6131 114.0600 43.6662 0.0000 171.8459 139 P 4.0753 0.0000 0.0000 65.7051 31.1762 178.9751 140 E 3.8730 7.9755 115.3423 59.1734 29.3676 177.4848 141 D 4.5382 7.5198 116.4989 54.5020 41.0941 176.4191 142 L 4.3356 7.7620 125.3334 54.7955 41.9121 176.1487 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 *13 E 8.54 4.30 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 14 C 7.90 4.32 0.00 2.83 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 15 V 7.83 3.34 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.61 0.00 0.00 16 Q 8.03 3.89 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 17 Q 7.71 3.88 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 18 L 7.76 3.88 0.00 1.77 1.62 0.98 0.64 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 19 L 7.82 3.93 0.00 1.85 1.73 0.60 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.59 3.96 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 1.07 0.00 0.00 0.98 0.00 0.00 21 C 8.27 4.72 0.00 3.22 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 22 S 8.37 4.22 0.00 4.08 4.19 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 23 Q 7.92 4.09 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 24 E 8.26 3.94 0.00 2.16 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 2.31 2.54 0.00 25 A 8.05 4.00 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 26 K 8.16 3.97 0.00 1.99 2.01 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.49 7.81 27 Q 8.13 4.17 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 28 S 7.77 4.69 0.00 3.65 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 29 A 7.60 4.11 1.43 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 0.00 0.00 30 Y 8.58 4.61 0.00 3.05 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 31 C 7.57 5.17 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 3.89 0.00 1.46 1.74 0.00 3.04 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.99 0.00 33 Y 7.63 4.21 0.00 2.76 2.87 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 34 S 7.99 4.43 0.00 4.01 3.91 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 35 H 8.19 4.15 0.00 3.36 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.77 4.60 0.00 3.00 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 37 P 0.00 4.39 0.00 1.96 1.92 0.00 3.46 0.00 0.00 3.70 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 38 V 8.36 4.64 2.27 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 1.09 0.00 0.00 1.18 0.00 0.00 39 G 9.56 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 9.10 5.40 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 41 A 9.10 5.00 1.20 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 42 L 9.41 4.80 0.00 1.57 1.53 0.55 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.08 5.17 0.00 1.76 1.71 0.98 0.63 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 44 T 8.77 4.87 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 45 Q 8.73 4.13 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 46 E 8.47 4.01 0.00 2.20 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 0.00 2.45 2.44 0.00 47 G 7.95 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 48 R 7.78 4.03 0.00 1.70 1.54 0.00 2.77 0.00 0.00 2.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.21 0.00 49 I 7.75 5.02 1.73 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 1.29 0.71 0.88 0.00 0.00 50 F 9.32 4.60 0.00 2.79 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 51 K 8.65 4.99 0.00 1.61 1.71 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.36 7.81 52 G 8.76 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 0.00 0.00 0.00 53 C 8.66 5.99 0.00 3.03 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 54 N 8.68 4.88 0.00 2.90 3.05 0.00 0.00 5.67 7.64 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 55 I 8.96 4.74 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 1.06 0.00 0.00 56 E 9.09 4.85 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 57 N 8.29 5.07 0.00 2.69 2.75 0.00 0.00 6.85 7.96 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 58 A 8.86 3.44 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 9.15 4.37 0.00 2.91 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 60 Y 8.23 4.08 0.00 2.96 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 61 P 0.00 4.22 0.00 2.05 2.15 0.00 3.72 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 2.04 2.16 0.00 62 L 8.38 4.23 0.00 1.74 1.73 0.94 1.00 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 63 G 7.98 4.03 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 0.00 0.00 0.00 64 I 8.62 4.86 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.46 0.98 0.00 0.00 65 C 8.70 4.77 0.00 2.97 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 66 A 8.60 4.33 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 67 E 8.17 3.94 0.00 2.12 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 0.00 2.45 2.48 0.00 68 R 8.00 3.96 0.00 1.96 1.96 0.00 3.30 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 69 T 8.03 3.86 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 70 A 7.93 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.70 3.18 1.86 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 0.84 0.00 0.00 72 Q 8.47 4.17 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 73 K 7.75 3.98 0.00 1.88 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.33 7.81 74 A 7.67 2.58 0.41 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 75 V 8.26 3.70 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.46 0.00 0.00 76 S 7.79 4.44 0.00 4.12 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 77 E 8.25 4.68 0.00 2.40 2.44 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 2.66 2.93 0.00 78 G 8.02 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 79 Y 7.88 4.34 0.00 3.03 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 80 K 8.53 3.77 0.00 1.56 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.33 1.28 7.81 81 D 7.49 4.35 0.00 2.57 2.56 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 0.00 0.00 0.00 0.00 82 F 7.35 5.32 0.00 1.51 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.96 4.51 0.00 1.54 1.83 0.00 3.31 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 84 A 7.56 5.01 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 85 I 8.48 5.20 2.21 0.00 0.00 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 1.25 1.55 1.08 0.00 0.00 86 A 8.96 5.38 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 87 I 8.99 4.99 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.86 1.02 0.00 0.00 88 A 9.49 4.94 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 89 S 8.42 4.69 0.00 3.38 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 90 D 7.93 4.68 0.00 2.44 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 7.54 4.33 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 92 Q 8.76 4.29 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 *93 D 7.94 4.75 0.00 2.70 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 94 D 7.35 4.79 0.00 2.60 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 95 F 8.67 4.52 0.00 2.99 3.22 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 96 I 8.67 4.20 1.98 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 1.07 0.00 0.00 97 S 8.60 4.96 0.00 3.97 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 98 P 0.00 4.97 0.00 2.22 2.07 0.00 3.43 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 99 C 8.47 4.56 0.00 3.17 3.11 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 0.00 0.00 0.00 0.00 100 G 8.70 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 0.00 101 A 7.96 4.19 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 0.00 102 C 8.10 4.20 0.00 3.16 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 0.00 103 R 8.14 3.99 0.00 2.04 1.94 0.00 3.26 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 104 Q 7.82 4.11 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 105 V 7.71 3.95 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.08 0.00 0.00 106 M 8.28 4.58 0.00 1.78 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.78 0.00 107 R 7.94 4.26 0.00 2.02 2.21 0.00 3.21 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 108 E 7.82 3.84 0.00 1.80 1.76 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 1.74 1.47 0.00 109 F 9.13 4.83 0.00 3.13 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 0.00 110 G 7.00 5.02 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 0.00 0.00 0.00 111 T 8.26 4.33 4.35 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 1.22 0.00 0.00 112 N 8.43 4.91 0.00 2.51 2.71 0.00 0.00 6.62 7.96 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 0.00 113 W 7.90 5.06 0.00 3.69 3.22 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 0.00 114 P 0.00 4.35 0.00 1.60 2.10 0.00 4.07 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.08 0.00 115 V 8.36 4.53 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 0.92 0.00 0.00 0.64 0.00 0.00 116 Y 9.45 4.60 0.00 2.91 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 0.00 117 M 8.81 4.87 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 118 T 8.46 5.30 4.41 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 1.37 0.00 0.00 119 K 8.74 4.89 0.00 1.80 1.60 0.00 1.13 0.00 0.00 1.35 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 0.82 7.81 120 P 0.00 4.24 0.00 2.12 2.11 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 121 D 7.91 4.41 0.00 2.76 2.78 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 G 7.85 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 0.00 0.00 0.00 123 T 9.17 4.21 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 1.28 0.00 0.00 124 Y 7.35 5.58 0.00 3.14 3.14 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 0.00 125 I 8.32 4.70 1.57 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.53 -0.45 0.00 0.00 126 V 8.28 4.96 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 1.21 0.00 0.00 0.51 0.00 0.00 127 M 8.06 5.05 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 128 T 8.84 4.69 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 129 V 7.83 3.29 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 0.95 0.00 0.00 -0.29 0.00 0.00 130 Q 7.63 3.92 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 131 E 7.68 4.07 0.00 1.99 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 0.00 2.30 2.29 0.00 132 L 7.70 4.22 0.00 1.77 1.64 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.59 4.73 0.00 1.68 1.49 0.97 0.88 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 0.00 134 P 0.00 4.38 0.00 2.21 2.02 0.00 4.02 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 1.98 1.94 0.00 135 S 8.66 3.68 0.00 3.95 3.91 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 0.00 136 S 7.92 4.33 0.00 4.04 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 0.00 137 F 8.59 4.52 0.00 2.98 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 0.00 138 G 7.61 3.97 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 0.00 139 P 0.00 4.08 0.00 2.07 2.03 0.00 3.48 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 1.99 2.25 0.00 140 E 7.98 3.87 0.00 1.81 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 2.25 2.33 0.00 141 D 7.52 4.54 0.00 2.13 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.76 4.34 0.00 1.72 1.54 1.01 0.80 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 * Residues marked with a * may have inaccurate shift predictions.