NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2080 8.1844 122.4712 53.5374 43.8867 177.4137 3 K 5.1723 7.4470 130.7541 58.3353 31.5109 173.1350 4 Q 5.0666 7.6686 116.4525 55.1470 30.8715 175.3567 5 V 4.6284 8.1611 120.3037 61.3161 34.9681 173.7092 6 E 4.8576 8.8289 127.3285 54.7417 31.6464 175.0057 7 I 4.9832 8.3148 125.3469 59.3563 41.0067 174.5358 8 F 5.3982 9.1669 124.3975 55.9378 42.1515 174.3799 9 T 5.3741 8.7508 112.4978 60.5911 72.1073 172.5523 10 D 4.7983 9.1051 120.3812 53.7958 45.1638 174.2943 11 G 4.7554 8.5681 109.8063 45.3774 0.0000 171.5966 12 S 4.9440 9.4624 115.3351 57.6314 67.0319 173.1979 13 C 5.0281 8.4079 117.8736 58.0331 29.7737 173.9105 14 L 4.0205 8.8369 125.4297 57.1646 41.9878 177.4891 15 G 4.1719 7.7745 106.5692 43.5258 0.0000 171.1746 16 N 5.2433 8.3902 119.6326 50.5647 41.3293 172.2351 17 P 4.4069 0.0000 0.0000 63.2300 32.4909 176.5850 18 G 4.4058 7.9003 106.0724 46.3387 0.0000 170.3518 19 P 5.0087 0.0000 0.0000 62.5450 32.8210 176.2105 20 G 4.4229 8.6467 109.1466 46.2199 0.0000 170.8055 21 G 4.7379 9.2176 106.4594 45.9555 0.0000 171.8280 22 Y 5.4920 7.9772 117.2973 55.2573 42.2737 174.6324 23 G 4.5359 9.4310 106.0960 44.7866 0.0000 171.6111 24 A 5.5660 9.3169 125.0954 50.3943 23.2662 174.8426 25 I 5.0007 8.9887 122.7410 59.3806 40.4660 174.2713 26 L 5.0869 9.5586 129.6338 53.4118 44.7354 175.1368 27 R 4.9514 9.2608 126.5029 54.8150 32.0302 174.7767 28 Y 4.2513 8.3707 125.6685 55.6878 40.9172 174.9973 29 R 3.4066 8.1493 128.8739 58.4246 27.5262 175.7018 30 G 4.0270 8.0043 98.9425 46.0425 0.0000 173.6093 31 R 4.4751 7.5860 117.7090 54.4967 32.9110 172.9937 32 E 4.9696 8.7052 124.9191 55.4306 31.2447 175.8821 33 K 4.5810 9.1154 122.0938 54.8643 36.0299 175.2786 34 T 4.9854 8.2330 120.2499 61.6749 71.5221 173.3935 35 F 5.0254 9.2887 124.1999 55.8467 42.3909 174.1861 36 S 4.7776 8.9534 115.9820 57.4138 65.3835 172.7549 37 A 4.3919 7.3954 125.0419 50.8165 22.4700 175.1117 38 G 4.6219 8.2575 106.5723 43.7138 0.0000 171.5719 39 Y 5.2494 8.7470 120.7490 55.9019 40.7641 177.0188 40 T 3.9587 9.0417 114.3441 64.7628 70.1575 174.2966 41 R 4.4854 7.8531 122.2160 55.9053 32.6255 173.6701 42 T 3.9580 8.8855 123.3415 61.4768 70.8491 171.6928 43 T 4.6573 7.8456 109.2726 59.8875 71.9364 174.0300 44 N 4.3744 8.9648 119.8269 56.9464 39.5706 175.6654 45 N 4.1790 8.0662 115.1055 56.4930 38.5331 178.3415 46 R 4.0070 7.3459 113.1646 56.6983 28.8562 177.5764 *48 E 4.4601 8.2934 119.9467 56.5971 31.4925 177.8523 49 L 4.1585 7.6644 118.5247 55.3921 42.0571 178.4067 *51 A 3.8155 8.2298 120.9502 51.5426 20.6528 179.8544 52 A 4.0582 7.3983 117.9460 55.0435 18.2637 179.9778 53 I 3.5500 7.5721 118.3926 64.4888 37.0165 178.4530 54 V 3.3074 7.4698 116.8756 66.0254 31.3174 177.4971 55 A 3.7560 7.5256 119.5066 55.1010 18.2718 179.5820 56 L 3.8069 7.5714 117.0433 58.0161 41.4911 179.6908 57 E 4.0035 8.1128 116.9978 58.7603 29.4096 178.5251 58 A 4.2921 7.2725 119.3213 52.1299 18.7218 177.1480 59 L 4.1658 7.3098 118.3346 54.0886 41.7067 177.0969 60 K 4.5410 8.1090 125.8304 55.9202 32.7672 176.4924 61 E 4.8255 7.5589 113.1816 55.6279 31.2345 175.3741 62 H 4.4387 9.0267 118.1619 56.3349 29.2979 174.3325 63 C 5.0169 9.0076 119.8617 57.8732 33.3467 172.9311 64 E 4.8698 8.6270 119.4208 55.4375 30.3386 175.5539 65 V 4.7080 8.9416 125.2899 60.9048 35.0996 174.4869 66 I 4.5198 8.3220 127.3292 59.5508 39.4532 174.0796 67 L 4.6809 8.4651 130.3807 52.9098 44.5335 174.8159 68 S 5.6379 8.3446 120.9629 56.0838 64.7589 172.5412 69 T 5.1122 8.5532 120.2838 60.9692 70.8183 173.1221 70 D 5.4893 8.7089 124.0891 52.4924 40.0795 176.4761 71 S 4.4008 7.9231 114.7597 58.3720 63.0464 174.5306 72 Q 3.9337 8.7848 130.5868 59.1386 28.9655 177.3130 73 Y 4.3212 8.0706 120.3586 60.7415 38.9418 177.9666 74 V 3.7465 8.1686 119.2218 65.9733 31.7089 177.7264 75 R 2.5100 7.6150 118.4055 59.1295 29.5904 178.5236 76 Q 3.4836 8.0597 117.9928 58.4693 28.6731 178.8633 77 G 2.9476 7.8551 106.6539 47.5653 0.0000 175.6388 78 I 3.5337 7.4306 121.7994 64.2467 37.2420 178.3900 79 T 3.9438 7.2580 108.6045 63.3014 68.8927 175.1422 80 Q 3.9331 7.2791 118.3108 56.3283 31.1432 177.0767 81 W 4.0521 6.5857 116.4548 58.3163 29.4144 178.1020 82 I 3.1649 7.0668 119.2611 64.3406 36.8888 177.1762 83 H 3.9848 7.9787 115.0743 59.1237 27.9813 176.9344 84 N 4.2145 7.3996 118.3977 55.3929 38.4870 177.2079 85 W 4.2568 7.7805 120.7061 59.7836 29.1944 178.6873 86 K 3.2635 7.4495 118.1941 59.1742 31.2085 179.5833 87 K 4.0094 7.3509 116.4762 58.9652 31.9472 178.5483 88 R 4.4705 7.7859 116.8679 55.2937 29.8206 177.1407 89 G 4.2443 8.0986 105.7709 46.2000 0.0000 174.0285 90 W 3.6241 8.5889 116.9398 57.5893 26.9191 174.2325 91 K 4.9989 7.5552 114.9275 54.7833 35.6675 176.9071 92 T 4.3787 8.4097 111.4652 60.3011 70.8611 175.2793 93 A 3.9478 8.4836 123.2912 55.0307 18.3504 178.0214 94 D 4.5884 8.0037 113.2414 52.8991 39.7995 176.8139 95 K 3.9163 8.1380 117.8412 57.4252 30.1511 175.7743 96 K 4.4853 7.6805 117.9892 54.2201 33.5997 174.2311 97 P 4.7754 0.0000 0.0000 62.7719 31.8500 176.6042 98 V 3.5136 8.5037 123.8105 62.5907 32.7177 175.1497 99 K 3.9027 8.4544 127.8906 57.2442 32.8708 176.0833 100 N 4.5342 9.3257 123.7489 53.6381 36.2629 176.8999 101 V 3.6309 7.5571 120.8350 64.8262 31.3887 176.5756 102 D 4.2474 8.0680 119.2706 56.5041 38.9429 178.8349 103 L 3.9814 7.6850 119.8855 56.9994 41.8506 179.1392 104 W 4.5735 8.3641 119.2876 60.1294 28.9235 178.6326 105 Q 3.7282 8.2233 118.2938 58.7539 27.9248 178.9601 106 R 3.8867 7.5374 117.7976 59.1317 30.1132 178.9241 107 L 4.0094 8.0854 120.0681 58.1013 41.9335 178.3155 108 D 4.5415 8.3135 116.6003 57.4406 41.3900 177.6078 109 A 4.2028 8.3925 121.2329 55.5279 18.0712 179.5978 110 A 4.0299 7.9291 118.4877 54.7335 18.2368 179.1829 111 L 4.2514 8.0285 117.8673 57.2481 42.3251 178.6155 112 G 3.8113 7.7117 104.7026 46.8970 0.0000 174.2631 113 Q 4.1868 7.6036 118.2247 56.1934 29.1193 174.3200 114 H 4.8448 7.5835 113.8215 54.5649 33.7848 172.6710 115 Q 4.5050 9.2602 119.3679 54.7644 30.0675 174.9368 116 I 4.5801 8.2488 125.1456 59.1855 39.6245 175.1870 117 K 4.3971 8.5006 127.7727 54.4016 34.4778 174.5346 118 W 4.5558 8.5818 127.5149 55.0623 30.7902 175.3679 119 E 4.2858 9.0501 126.4606 54.1700 31.2408 174.8283 120 W 5.4039 8.5001 128.2331 55.8641 30.2024 176.2321 121 V 4.2691 8.8378 126.3466 61.4433 32.8853 175.2211 122 K 4.4338 8.8050 126.0031 57.1785 33.8732 176.7799 123 G 4.1289 8.8773 108.7801 46.1022 0.0000 172.2027 124 H 4.5636 8.6198 116.4211 57.6121 29.3270 175.8246 125 A 4.1997 7.9594 122.9541 53.4621 18.3599 177.5331 126 G 3.9265 9.2528 111.4449 45.8275 0.0000 173.4767 127 H 4.9162 7.9009 116.8289 52.2524 29.2647 172.1342 128 P 4.2209 0.0000 0.0000 65.9065 31.4491 178.5826 129 E 3.7436 7.7769 117.7509 58.9751 29.3820 178.8504 130 N 4.4512 7.9930 116.1708 56.2120 38.7257 176.8490 131 E 3.5211 8.0756 120.7363 59.1860 29.6479 178.7686 132 R 3.8742 7.8332 118.5442 59.7281 30.0228 178.2439 133 C 4.1992 8.1111 116.5018 62.7700 28.1012 175.5639 134 D 4.3414 7.9407 119.2122 57.3782 40.9139 178.1821 135 E 3.9736 8.2938 119.0292 59.4006 29.4770 179.2962 136 L 3.9517 8.2900 119.0938 57.6883 41.6439 179.1340 137 A 4.0172 8.5046 121.0282 55.6523 18.1234 179.9332 138 R 3.8938 7.9765 114.6729 59.3169 30.2026 178.9798 139 A 4.1049 7.8023 119.4216 54.9696 18.7779 179.2698 140 A 4.0533 8.0343 119.1969 54.8948 18.2640 180.8730 141 A 4.3008 7.4495 119.1598 52.2594 18.1218 177.5325 *143 N 4.4966 7.9925 114.3414 54.0397 39.7080 172.7299 144 P 4.3451 0.0000 0.0000 63.6410 32.2489 176.9552 145 T 4.4822 8.4944 116.3565 62.6556 70.8948 173.9408 146 L 4.6155 7.3332 120.4095 52.8080 44.1062 174.7180 147 E 4.9135 8.4615 119.5661 55.2038 31.3731 176.7306 148 D 4.8477 8.4398 123.5937 52.9615 39.8047 176.6084 149 T 4.1451 8.1506 111.6196 62.7316 69.3917 176.2230 150 G 4.2009 7.6340 108.4674 45.1335 0.0000 173.3177 151 Y 4.3936 7.6880 122.6067 56.8242 39.4518 175.1672 152 Q 3.8604 7.9743 123.7733 56.3027 28.8317 175.7546 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 L 8.18 4.21 0.00 1.55 1.70 0.89 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.45 5.17 0.00 1.93 1.85 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.20 1.56 7.81 4 Q 7.67 5.07 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.46 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 5 V 8.16 4.63 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 1.03 0.00 0.00 1.19 0.00 0.00 6 E 8.83 4.86 0.00 2.04 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 0.00 2.15 2.23 0.00 7 I 8.31 4.98 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.85 0.00 0.00 8 F 9.17 5.40 0.00 3.00 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 9 T 8.75 5.37 4.34 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 1.31 0.00 0.00 10 D 9.11 4.80 0.00 2.89 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 11 G 8.57 4.76 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 12 S 9.46 4.94 0.00 3.84 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 13 C 8.41 5.03 0.00 2.80 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 14 L 8.84 4.02 0.00 1.65 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.77 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 0.00 0.00 0.00 0.00 16 N 8.39 5.24 0.00 2.65 2.64 0.00 0.00 7.06 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 17 P 0.00 4.41 0.00 2.09 1.99 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 18 G 7.90 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 0.00 0.00 0.00 0.00 19 P 0.00 5.01 0.00 2.24 1.99 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 20 G 8.65 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 21 G 9.22 4.74 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 0.00 0.00 0.00 22 Y 7.98 5.49 0.00 3.16 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 23 G 9.43 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 9.32 5.57 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 25 I 8.99 5.00 2.13 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 1.04 0.00 0.00 26 L 9.56 5.09 0.00 1.99 1.70 1.13 1.13 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 27 R 9.26 4.95 0.00 1.85 1.91 0.00 3.23 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 28 Y 8.37 4.25 0.00 3.00 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 29 R 8.15 3.41 0.00 1.55 1.75 0.00 3.63 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 30 G 8.00 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 31 R 7.59 4.48 0.00 1.79 1.97 0.00 3.39 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 32 E 8.71 4.97 0.00 1.89 1.86 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 2.31 2.35 0.00 33 K 9.12 4.58 0.00 1.81 1.36 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.37 7.81 34 T 8.23 4.99 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 1.21 0.00 0.00 35 F 9.29 5.03 0.00 3.12 3.16 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 36 S 8.95 4.78 0.00 3.81 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 37 A 7.40 4.39 1.01 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 0.00 0.00 38 G 8.26 4.62 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 0.00 0.00 0.00 39 Y 8.75 5.25 0.00 2.86 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 40 T 9.04 3.96 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 1.22 0.00 0.00 41 R 7.85 4.49 0.00 1.85 1.91 0.00 3.32 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 42 T 8.89 3.96 4.09 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 1.17 0.00 0.00 43 T 7.85 4.66 4.08 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 0.83 0.00 0.00 44 N 8.96 4.37 0.00 2.81 2.82 0.00 0.00 6.99 7.79 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 45 N 8.07 4.18 0.00 2.41 1.70 0.00 0.00 7.06 7.66 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 46 R 7.35 4.01 0.00 1.67 1.80 0.00 3.32 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 *48 E 8.29 4.46 0.00 2.29 2.15 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 2.38 2.47 0.00 49 L 7.66 4.16 0.00 1.85 1.62 -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 *51 A 8.23 3.82 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.40 4.06 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 53 I 7.57 3.55 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.49 0.81 0.00 0.00 54 V 7.47 3.31 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 0.58 0.00 0.00 0.61 0.00 0.00 55 A 7.53 3.76 1.30 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 0.00 0.00 0.00 56 L 7.57 3.81 0.00 1.81 1.69 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.11 4.00 0.00 1.85 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 2.31 2.42 0.00 58 A 7.27 4.29 1.07 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 0.00 0.00 59 L 7.31 4.17 0.00 1.71 1.74 0.54 0.82 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 60 K 8.11 4.54 0.00 1.68 1.79 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.38 7.81 61 E 7.56 4.83 0.00 2.04 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 1.93 2.15 0.00 62 H 9.03 4.44 0.00 3.01 3.33 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.01 5.02 0.00 2.81 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 64 E 8.63 4.87 0.00 1.89 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 2.32 2.29 0.00 65 V 8.94 4.71 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 0.83 0.00 0.00 0.76 0.00 0.00 66 I 8.32 4.52 1.65 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 0.99 0.48 0.73 0.00 0.00 67 L 8.47 4.68 0.00 1.02 0.55 0.65 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.34 5.64 0.00 3.79 3.49 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 69 T 8.55 5.11 4.44 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 1.67 0.00 0.00 70 D 8.71 5.49 0.00 2.97 2.82 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 71 S 7.92 4.40 0.00 4.10 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 72 Q 8.78 3.93 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 73 Y 8.07 4.32 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.17 3.75 2.26 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 1.22 0.00 0.00 1.03 0.00 0.00 75 R 7.61 2.51 0.00 0.93 1.52 0.00 2.30 0.00 0.00 2.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 76 Q 8.06 3.48 0.00 2.12 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 77 G 7.86 2.95 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 0.00 78 I 7.43 3.53 1.48 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.16 0.52 0.00 0.00 79 T 7.26 3.94 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 1.00 0.00 0.00 80 Q 7.28 3.93 0.00 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 1.46 1.24 0.00 81 W 6.59 4.05 0.00 1.78 1.74 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 82 I 7.07 3.16 1.67 0.00 0.00 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 1.66 1.12 0.87 0.00 0.00 83 H 7.98 3.98 0.00 3.35 3.43 0.00 5.70 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 84 N 7.40 4.21 0.00 2.47 2.72 0.00 0.00 7.11 7.68 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 85 W 7.78 4.26 0.00 2.78 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.45 3.26 0.00 1.72 1.71 0.00 1.83 0.00 0.00 2.09 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.91 1.06 7.81 87 K 7.35 4.01 0.00 1.82 1.82 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.53 7.81 88 R 7.79 4.47 0.00 1.95 1.93 0.00 3.37 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 89 G 8.10 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 90 W 8.59 3.62 0.00 3.48 3.18 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 91 K 7.56 5.00 0.00 1.79 1.70 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.39 7.81 92 T 8.41 4.38 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 93 A 8.48 3.95 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 94 D 8.00 4.59 0.00 2.78 2.76 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 95 K 8.14 3.92 0.00 1.92 1.98 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.54 7.81 96 K 7.68 4.49 0.00 1.78 1.68 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.68 7.81 97 P 0.00 4.78 0.00 1.89 1.97 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 98 V 8.50 3.51 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.23 0.00 0.00 99 K 8.45 3.90 0.00 1.81 1.82 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.67 7.81 100 N 9.33 4.53 0.00 3.21 2.90 0.00 0.00 7.36 7.68 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 0.00 101 V 7.56 3.63 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 0.90 0.00 0.00 0.66 0.00 0.00 102 D 8.07 4.25 0.00 2.86 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 0.00 103 L 7.68 3.98 0.00 1.64 1.51 0.79 0.85 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 0.00 104 W 8.36 4.57 0.00 3.31 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.22 3.73 0.00 1.75 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.67 0.00 106 R 7.54 3.89 0.00 2.03 1.94 0.00 3.08 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 107 L 8.09 4.01 0.00 1.80 2.01 1.08 1.09 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 0.00 108 D 8.31 4.54 0.00 3.25 3.15 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 0.00 109 A 8.39 4.20 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 0.00 110 A 7.93 4.03 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 0.00 111 L 8.03 4.25 0.00 2.20 1.87 1.20 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.71 3.81 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 0.00 0.00 0.00 113 Q 7.60 4.19 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 114 H 7.58 4.84 0.00 2.91 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.26 4.51 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 116 I 8.25 4.58 1.67 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.47 -0.37 0.00 0.00 117 K 8.50 4.40 0.00 1.67 1.63 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.17 1.29 7.81 118 W 8.58 4.56 0.00 2.49 1.74 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 0.00 119 E 9.05 4.29 0.00 1.87 1.69 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 2.20 2.24 0.00 120 W 8.50 5.40 0.00 3.23 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 0.00 121 V 8.84 4.27 2.16 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 0.84 0.00 0.00 0.93 0.00 0.00 122 K 8.81 4.43 0.00 1.89 1.82 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 123 G 8.88 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 0.00 0.00 0.00 0.00 124 H 8.62 4.56 0.00 3.27 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.96 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 0.00 126 G 9.25 3.93 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 0.00 0.00 0.00 127 H 7.90 4.92 0.00 3.45 3.52 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.22 0.00 2.17 2.26 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 129 E 7.78 3.74 0.00 1.16 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 1.47 2.01 0.00 130 N 7.99 4.45 0.00 3.07 3.00 0.00 0.00 6.77 7.66 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 0.00 131 E 8.08 3.52 0.00 2.11 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 2.25 2.18 0.00 132 R 7.83 3.87 0.00 2.05 2.05 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 133 C 8.11 4.20 0.00 3.31 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 0.00 134 D 7.94 4.34 0.00 3.07 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 0.00 135 E 8.29 3.97 0.00 2.17 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 2.32 2.51 0.00 136 L 8.29 3.95 0.00 1.88 1.72 0.95 0.93 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 0.00 137 A 8.50 4.02 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 0.00 138 R 7.98 3.89 0.00 1.81 2.02 0.00 3.19 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 139 A 7.80 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 0.00 140 A 8.03 4.05 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 0.00 141 A 7.45 4.30 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 *143 N 7.99 4.50 0.00 2.70 2.79 0.00 0.00 7.22 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 0.00 144 P 0.00 4.35 0.00 2.27 2.15 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 145 T 8.49 4.48 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 146 L 7.33 4.62 0.00 0.72 1.19 0.69 0.63 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 0.00 147 E 8.46 4.91 0.00 2.00 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 2.28 2.39 0.00 148 D 8.44 4.85 0.00 2.63 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 0.00 149 T 8.15 4.15 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 0.00 150 G 7.63 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 0.00 0.00 0.00 0.00 151 Y 7.69 4.39 0.00 3.01 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.97 3.86 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.42 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.