NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4408 8.3349 115.2856 58.1419 63.6055 173.5600 3 I 3.3514 6.7225 128.6038 61.9210 38.1802 170.4168 4 V 4.8848 7.4148 122.4339 60.9792 33.9902 174.5338 5 N 5.2566 9.1979 124.3391 51.4999 42.5976 173.6866 6 I 4.5814 8.7537 124.3301 61.6822 37.5617 175.5398 7 L 4.6838 9.3071 127.2016 56.4148 43.0790 177.1088 8 S 4.7794 7.8393 111.0105 56.9554 66.6480 173.3911 9 V 4.8723 8.4776 120.7448 61.4557 33.9498 174.1093 10 N 4.9779 9.2338 126.0844 51.3735 41.3871 174.0163 11 V 3.8830 8.1769 124.0951 61.7509 31.4007 175.6896 12 L 4.1241 8.8649 130.2443 57.0227 42.1652 177.5802 13 N 4.8400 7.8190 114.9956 50.2969 37.1270 171.3191 14 N 4.7950 7.9462 122.0913 52.0998 42.1015 172.5765 15 P 4.8496 0.0000 0.0000 62.9336 33.3417 174.5810 16 A 4.6492 8.7511 119.9949 51.2248 23.1948 176.3957 17 K 3.4366 7.9834 118.3878 55.9683 32.7656 178.1970 18 F 3.8073 8.7973 126.4026 61.5526 39.2302 176.4877 19 S 4.4967 7.8210 112.5814 58.5154 62.9415 173.5609 20 D 4.5127 7.3877 121.3104 52.9958 41.2251 174.8707 21 P 4.3645 0.0000 0.0000 63.1080 32.3433 175.4519 22 Y 4.3209 8.9068 120.8766 57.4457 39.7762 174.8127 23 K 4.8584 8.5458 121.7292 54.8461 35.3419 175.0197 24 F 4.9362 9.0453 124.8904 55.4508 41.6117 174.5610 25 E 4.5368 9.4189 126.2505 55.2885 30.8802 174.7885 26 I 4.9077 8.2208 128.3327 59.7001 40.3730 174.7064 27 T 5.3266 8.8974 123.4704 61.7394 71.3251 173.2415 28 F 5.5605 9.3789 120.7711 55.2487 42.3214 172.8233 29 E 5.0089 9.7439 121.2342 54.6364 32.0208 173.9217 30 C 5.1440 9.7252 128.1846 57.9358 33.3726 173.9150 31 L 4.1093 8.5331 125.6322 55.2780 42.7481 176.2747 32 E 4.6995 7.6966 116.1132 53.1621 33.5094 173.2252 33 P 4.4386 0.0000 0.0000 62.6212 32.1218 175.7044 34 L 5.0100 8.1009 120.4772 52.8398 44.0944 177.1830 35 K 4.1992 8.9106 121.8991 58.5689 32.2274 176.7713 36 S 4.7846 7.7890 112.6611 56.2544 66.7797 172.8366 37 D 4.9140 8.2659 121.0580 54.2910 42.3337 175.7899 38 L 4.8894 8.8307 119.9230 53.9007 44.1737 176.1557 39 E 4.8077 8.4004 121.8233 54.2529 32.1609 174.7785 40 W 4.8641 9.0144 128.2080 56.0559 30.8160 175.9264 41 K 5.3309 9.2242 121.5888 55.3275 36.1991 174.6133 42 L 5.1796 9.0235 123.2488 53.6955 45.3642 175.3206 43 T 5.0371 8.6032 121.4842 61.7291 71.7476 172.6202 44 Y 4.3576 9.1441 129.6883 57.4727 40.2348 174.5438 45 V 4.4934 8.2285 126.3897 61.2345 34.5659 175.7517 46 G 4.2682 8.4312 118.3089 44.7429 0.0000 172.9609 47 S 4.4402 8.4218 113.3765 57.2621 64.2081 174.6856 48 A 4.0333 8.6422 124.0671 55.8422 18.1020 179.5269 49 T 4.0254 7.8078 111.0020 66.1169 68.8618 175.1142 50 S 4.2889 7.5931 115.9770 58.3722 62.8025 173.6378 51 Q 4.4168 8.4745 124.2146 55.9035 28.9699 175.7184 52 S 4.1912 7.5403 116.0610 57.4884 63.3978 174.0155 53 Y 4.4318 7.7013 123.3876 56.4563 38.5553 175.2615 54 D 4.7555 8.7332 120.1926 55.2728 41.9236 176.0770 55 Q 4.7016 9.2008 123.0745 54.4025 31.2637 174.5469 56 I 4.2539 8.5023 128.2778 61.4109 37.2241 176.0022 57 L 4.3692 8.9187 128.0714 57.0129 42.7323 176.5041 58 D 4.7208 7.5756 115.0421 53.9841 44.4176 174.6925 59 T 5.4133 8.5620 111.9471 60.4688 72.7276 172.8706 60 L 4.3835 8.2573 121.1719 54.2520 46.1387 173.5921 61 L 4.6884 8.7398 127.1572 54.4635 42.7044 176.2445 62 V 4.2491 9.2597 124.2774 60.3092 33.7332 175.1326 63 G 5.0914 8.5028 115.5924 45.1596 0.0000 169.8802 64 P 4.6245 0.0000 0.0000 62.4269 32.1037 175.7670 65 I 4.4317 7.9920 119.7945 58.9187 37.9634 174.4452 66 P 4.4085 0.0000 0.0000 62.1168 31.8526 176.4363 67 I 3.9453 8.1419 122.9113 60.6403 38.0192 176.3283 68 G 3.6394 7.9814 114.8761 45.1429 0.0000 170.8740 69 I 4.7857 7.9069 123.7039 59.6885 39.1096 175.1719 70 N 4.9802 9.0309 124.2690 51.1864 42.2482 173.4797 71 K 5.3039 8.3285 121.3468 55.1175 35.7056 174.8768 72 F 5.0162 9.1324 120.4024 56.0022 42.1437 172.6247 73 V 4.4212 8.3882 118.8035 61.0617 33.3810 174.4673 74 F 5.0317 8.8836 131.2487 57.0330 40.4184 173.9127 75 E 5.0031 9.0119 128.1910 54.7784 30.5384 174.6593 76 A 4.8190 9.0258 129.6370 49.6534 21.7737 175.3429 77 D 4.7649 8.9301 122.0393 54.0466 41.7649 174.9053 78 P 4.6106 0.0000 0.0000 61.6056 32.6833 174.0937 79 P 4.3134 0.0000 0.0000 62.3556 31.8900 176.0073 80 N 4.5867 9.1189 121.3464 52.5920 39.2306 175.8020 81 I 3.7229 8.4587 126.8046 64.0786 38.3737 177.4961 82 D 4.4032 8.2786 119.4681 56.8385 40.6625 177.0307 83 L 4.4596 7.6164 116.5890 54.5289 41.7027 177.2060 84 L 4.6682 7.4062 120.8279 51.8177 41.3342 174.2956 85 P 4.3505 0.0000 0.0000 64.6663 32.1449 177.9640 86 Q 4.4067 7.6199 118.4957 53.4362 27.6133 175.1425 87 L 3.9158 8.0929 128.9918 58.8046 42.7891 179.3128 88 S 4.1641 8.0851 112.9323 60.8909 62.9969 174.9858 89 D 4.6632 8.0122 118.6662 53.6682 39.2015 177.5394 90 V 4.1208 7.5740 112.6772 62.6637 31.8100 176.3729 91 L 4.5169 7.7776 120.1470 54.4579 43.7942 178.6925 92 G 3.6579 8.3093 108.4622 46.9724 0.0000 174.4218 93 V 4.7782 8.4991 126.0831 61.7158 33.0030 175.0476 94 T 4.8616 8.6820 119.4678 59.8615 72.3018 172.8211 95 V 5.1201 8.2170 119.4376 60.3052 35.2752 174.7366 96 I 4.9136 8.2970 125.5930 59.4776 40.8223 174.1149 97 L 4.9758 8.7959 127.2351 52.9527 44.0138 175.3716 98 L 5.0175 8.8530 128.0746 54.0161 43.0979 175.5191 99 S 5.1614 9.2225 120.7925 56.7432 67.1808 172.4538 100 C 4.5232 8.1845 119.6758 57.2982 34.8885 172.4935 101 A 5.0680 8.4380 126.1301 50.1326 22.5462 174.0797 102 Y 4.6520 8.7119 121.9703 55.8874 41.3636 175.7676 103 E 3.6712 8.8868 127.0999 57.7562 27.0064 174.5686 104 D 4.3524 8.0961 111.8590 54.9337 38.8546 173.6039 105 N 4.7771 7.7557 117.4666 51.0564 40.3890 173.6344 106 E 4.3110 8.6491 125.2306 55.9184 30.3820 175.8318 107 F 5.2585 8.3953 120.2733 56.1440 40.5980 175.4574 108 V 4.8287 6.7137 118.2769 60.4157 34.8542 173.2103 109 R 4.9285 8.7269 123.0514 54.7700 33.6936 173.5978 110 V 4.3747 9.3547 127.0079 61.2067 33.8934 174.1473 111 G 4.2866 8.5904 116.1362 44.8678 0.0000 171.5331 112 Y 5.0850 8.8582 121.2568 56.1830 42.2843 174.3526 113 Y 4.8734 8.4292 118.6102 57.2200 40.5193 174.7385 114 V 4.9418 8.9306 121.6737 61.3953 35.2683 173.7216 115 N 5.4129 9.1990 125.0605 51.8590 41.1216 173.6808 116 N 5.6578 9.0144 120.0696 51.7294 42.5997 173.4000 117 E 5.0414 9.3472 121.6006 55.1051 34.6214 173.8624 118 M 4.7467 8.5226 121.3950 54.2879 33.6168 175.1721 119 E 4.0847 9.5897 125.3983 59.3246 29.0761 177.1903 *130 E 4.1077 7.8206 117.9074 55.3169 31.0699 175.3601 131 I 3.6259 8.0679 111.9213 61.4834 37.6868 175.1255 132 K 4.5988 8.2724 121.8402 53.9317 34.5810 176.0852 133 K 3.8175 8.5663 121.6658 57.3069 32.5170 176.4155 134 V 4.4271 8.1193 115.1928 59.4141 34.2166 175.0695 135 K 4.3915 8.1447 123.0067 54.3184 33.5947 176.3855 136 V 3.4128 8.2887 124.1158 63.5465 31.8480 174.7477 137 D 4.6170 8.5279 127.0170 52.8469 41.8623 176.6947 138 I 3.6051 8.2185 127.7758 63.6982 38.2698 177.2978 139 S 4.2673 8.0034 112.7931 59.7285 63.0229 174.4990 140 K 4.5618 7.9158 120.1300 56.2304 33.6940 175.2660 141 V 4.7392 7.6147 121.8659 61.3303 33.4633 174.5931 142 W 4.9929 9.4665 127.9387 54.8454 31.9325 175.1201 143 R 5.3400 9.2913 120.3797 54.7302 32.4340 175.1496 144 S 5.0008 9.0291 114.9426 56.9215 65.5848 172.7653 145 I 4.4293 8.7968 129.2224 60.5982 37.7344 177.6703 146 L 4.3824 8.9771 128.9290 53.9301 39.7501 177.4630 147 A 4.4774 7.9567 122.8375 54.0212 19.0790 178.7397 148 E 4.3796 8.2220 113.8013 57.2110 30.4837 176.7225 149 K 4.7114 7.5248 118.7332 54.7865 32.4542 174.8285 150 P 4.0285 0.0000 0.0000 62.8579 32.7220 177.2340 151 R 4.3665 8.4533 122.5115 54.7608 31.4459 175.3773 152 V 4.5551 8.1589 124.3930 62.1690 33.3130 175.4883 153 T 4.4115 8.3925 122.9896 62.1360 72.4683 173.1524 154 R 4.6239 8.2985 125.4857 55.0256 31.9949 175.8966 155 F 5.0813 8.7346 120.7843 55.6177 43.0630 174.3024 156 N 4.5907 8.9865 120.0643 52.8971 39.0377 174.5477 157 I 4.5785 7.9630 115.2831 58.7795 40.8171 174.9091 158 Q 4.1871 8.4062 120.1915 56.2125 30.1820 177.2652 159 W 3.2470 7.1319 116.3165 58.2974 27.8492 173.7591 160 D 4.6864 9.0580 126.6812 55.5029 40.5547 175.8635 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 3.95 3.96 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 3 I 6.72 3.35 0.56 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.06 0.34 0.00 0.00 4 V 7.41 4.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.62 0.00 0.00 5 N 9.20 5.26 0.00 2.70 2.72 0.00 0.00 6.71 7.94 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 6 I 8.75 4.58 2.05 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.78 1.10 0.00 0.00 7 L 9.31 4.68 0.00 1.64 1.76 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.84 4.78 0.00 3.89 3.94 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 9 V 8.48 4.87 2.35 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 1.18 0.00 0.00 1.10 0.00 0.00 10 N 9.23 4.98 0.00 2.63 2.64 0.00 0.00 6.18 7.29 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 11 V 8.18 3.88 1.83 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 0.32 0.00 0.00 0.46 0.00 0.00 12 L 8.86 4.12 0.00 1.51 1.65 0.88 0.94 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 13 N 7.82 4.84 0.00 2.70 2.71 0.00 0.00 5.71 8.04 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 14 N 7.95 4.79 0.00 2.50 2.61 0.00 0.00 7.33 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 15 P 0.00 4.85 0.00 2.12 2.25 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 16 A 8.75 4.65 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 0.00 0.00 0.00 0.00 0.00 17 K 7.98 3.44 0.00 1.66 1.31 0.00 1.43 0.00 0.00 1.44 0.00 0.00 2.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.55 7.81 18 F 8.80 3.81 0.00 2.85 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 19 S 7.82 4.50 0.00 3.85 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 20 D 7.39 4.51 0.00 2.44 2.39 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 21 P 0.00 4.36 0.00 1.86 2.01 0.00 3.54 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 22 Y 8.91 4.32 0.00 2.87 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 23 K 8.55 4.86 0.00 1.73 1.64 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.31 7.81 24 F 9.05 4.94 0.00 2.84 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 25 E 9.42 4.54 0.00 1.94 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 26 I 8.22 4.91 0.91 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.38 0.86 0.00 0.00 27 T 8.90 5.33 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 1.23 0.00 0.00 28 F 9.38 5.56 0.00 3.35 3.36 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 29 E 9.74 5.01 0.00 2.06 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 2.30 2.22 0.00 30 C 9.73 5.14 0.00 3.26 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 31 L 8.53 4.11 0.00 1.48 1.59 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.70 4.70 0.00 1.65 1.66 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 2.10 2.11 0.00 33 P 0.00 4.44 0.00 2.17 2.03 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 34 L 8.10 5.01 0.00 1.70 1.77 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.91 4.20 0.00 2.07 1.94 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.48 7.81 36 S 7.79 4.78 0.00 3.38 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.27 4.91 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.83 4.89 0.00 1.61 1.33 0.63 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.40 4.81 0.00 1.92 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 40 W 9.01 4.86 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.22 5.33 0.00 1.83 1.89 0.00 1.22 0.00 0.00 1.50 0.00 0.00 2.69 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.37 7.81 42 L 9.02 5.18 0.00 1.74 1.36 0.41 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.60 5.04 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 1.24 0.00 0.00 44 Y 9.14 4.36 0.00 3.06 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 45 V 8.23 4.49 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 0.88 0.00 0.00 0.90 0.00 0.00 46 G 8.43 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 0.00 0.00 0.00 0.00 47 S 8.42 4.44 0.00 4.04 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 48 A 8.64 4.03 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 49 T 7.81 4.03 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 50 S 7.59 4.29 0.00 3.81 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 51 Q 8.47 4.42 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 52 S 7.54 4.19 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.70 4.43 0.00 3.03 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 54 D 8.73 4.76 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 9.20 4.70 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 56 I 8.50 4.25 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.99 0.00 0.00 57 L 8.92 4.37 0.00 1.53 1.93 0.79 0.95 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 58 D 7.58 4.72 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.56 5.41 4.36 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 1.28 0.00 0.00 60 L 8.26 4.38 0.00 1.90 1.07 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.74 4.69 0.00 1.59 1.80 0.92 0.97 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 62 V 9.26 4.25 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 0.81 0.00 0.00 0.25 0.00 0.00 63 G 8.50 5.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.62 0.00 2.23 2.11 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 65 I 7.99 4.43 1.97 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.02 1.15 0.00 0.00 66 P 0.00 4.41 0.00 2.10 1.98 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 67 I 8.14 3.95 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.45 0.88 0.00 0.00 68 G 7.98 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.91 4.79 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 0.90 0.00 0.00 70 N 9.03 4.98 0.00 1.44 2.13 0.00 0.00 5.94 8.33 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 71 K 8.33 5.30 0.00 1.67 1.61 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.31 1.55 7.81 72 F 9.13 5.02 0.00 3.24 3.06 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 0.00 0.00 0.00 73 V 8.39 4.42 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 0.80 0.00 0.00 0.89 0.00 0.00 74 F 8.88 5.03 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.01 5.00 0.00 2.04 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 0.00 2.22 2.28 0.00 76 A 9.03 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.93 4.76 0.00 2.60 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.61 0.00 1.90 1.97 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 79 P 0.00 4.31 0.00 1.98 1.42 0.00 3.14 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.75 0.00 80 N 9.12 4.59 0.00 2.73 2.70 0.00 0.00 6.79 6.96 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 81 I 8.46 3.72 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.05 0.89 0.00 0.00 82 D 8.28 4.40 0.00 2.84 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 83 L 7.62 4.46 0.00 1.63 1.66 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.41 4.67 0.00 1.71 1.58 0.88 1.23 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 85 P 0.00 4.35 0.00 2.15 2.16 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 86 Q 7.62 4.41 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 87 L 8.09 3.92 0.00 1.65 1.67 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.09 4.16 0.00 4.04 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 0.00 89 D 8.01 4.66 0.00 2.86 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 90 V 7.57 4.12 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 0.84 0.00 0.00 0.74 0.00 0.00 91 L 7.78 4.52 0.00 1.81 1.62 0.92 0.80 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 92 G 8.31 3.66 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 0.00 0.00 0.00 93 V 8.50 4.78 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 0.97 0.00 0.00 0.96 0.00 0.00 94 T 8.68 4.86 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 1.31 0.00 0.00 95 V 8.22 5.12 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 1.32 0.00 0.00 0.92 0.00 0.00 96 I 8.30 4.91 1.97 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 1.39 1.01 0.84 0.00 0.00 97 L 8.80 4.98 0.00 1.56 1.57 0.91 0.36 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 98 L 8.85 5.02 0.00 1.61 1.79 0.85 0.59 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 99 S 9.22 5.16 0.00 3.74 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 C 8.18 4.52 0.00 1.23 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 0.00 101 A 8.44 5.07 1.04 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 0.00 102 Y 8.71 4.65 0.00 2.86 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.89 3.67 0.00 1.77 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 1.87 1.47 0.00 104 D 8.10 4.35 0.00 2.73 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 0.00 105 N 7.76 4.78 0.00 2.72 2.58 0.00 0.00 6.68 7.15 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 0.00 106 E 8.65 4.31 0.00 1.77 1.68 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 2.30 2.23 0.00 107 F 8.40 5.26 0.00 3.29 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 0.00 108 V 6.71 4.83 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 0.27 0.00 0.00 0.96 0.00 0.00 109 R 8.73 4.93 0.00 2.16 1.79 0.00 3.12 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 110 V 9.35 4.37 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 0.75 0.00 0.00 1.00 0.00 0.00 111 G 8.59 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 0.00 0.00 0.00 0.00 112 Y 8.86 5.08 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.43 4.87 0.00 3.10 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 0.00 114 V 8.93 4.94 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 1.24 0.00 0.00 1.06 0.00 0.00 115 N 9.20 5.41 0.00 2.84 2.78 0.00 0.00 6.45 6.44 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 0.00 116 N 9.01 5.66 0.00 2.94 2.84 0.00 0.00 6.46 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 0.00 117 E 9.35 5.04 0.00 1.94 1.83 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 2.29 2.43 0.00 118 M 8.52 4.75 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 119 E 9.59 4.08 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.77 0.00 *130 E 7.82 4.11 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 131 I 8.07 3.63 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.91 0.00 0.00 132 K 8.27 4.60 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.57 7.81 133 K 8.57 3.82 0.00 1.73 1.78 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.50 7.81 134 V 8.12 4.43 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 0.76 0.00 0.00 0.92 0.00 0.00 135 K 8.14 4.39 0.00 1.68 1.66 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.37 7.81 136 V 8.29 3.41 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 0.72 0.00 0.00 0.90 0.00 0.00 137 D 8.53 4.62 0.00 2.76 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 0.00 138 I 8.22 3.61 1.70 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.83 0.85 0.00 0.00 139 S 8.00 4.27 0.00 4.00 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 0.00 140 K 7.92 4.56 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.35 7.81 141 V 7.61 4.74 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 1.03 0.00 0.00 0.92 0.00 0.00 142 W 9.47 4.99 0.00 3.37 3.23 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 0.00 143 R 9.29 5.34 0.00 1.91 2.21 0.00 2.77 0.00 0.00 2.89 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 144 S 9.03 5.00 0.00 3.92 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 0.00 145 I 8.80 4.43 1.74 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.65 0.00 0.00 146 L 8.98 4.38 0.00 1.90 1.76 1.02 0.82 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 0.00 147 A 7.96 4.48 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 0.00 148 E 8.22 4.38 0.00 2.03 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 2.33 2.30 0.00 149 K 7.52 4.71 0.00 1.77 1.83 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.55 7.81 150 P 0.00 4.03 0.00 1.82 1.60 0.00 3.91 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 151 R 8.45 4.37 0.00 1.58 1.82 0.00 3.24 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 152 V 8.16 4.56 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 0.74 0.00 0.00 0.89 0.00 0.00 153 T 8.39 4.41 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 0.84 0.00 0.00 154 R 8.30 4.62 0.00 1.58 1.82 0.00 3.14 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 155 F 8.73 5.08 0.00 3.08 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 0.00 156 N 8.99 4.59 0.00 2.76 2.82 0.00 0.00 6.74 7.45 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 0.00 157 I 7.96 4.58 1.56 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 0.58 -0.36 0.94 0.00 0.00 158 Q 8.41 4.19 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.18 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 159 W 7.13 3.25 0.00 3.41 2.41 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 0.00 160 D 9.06 4.69 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.