NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 P 4.5014 0.0000 0.0000 62.4540 33.3994 175.4424 *2 I 4.3571 8.2735 119.7323 60.7598 36.3229 171.8346 *3 V 4.6286 8.9369 126.0246 59.4168 37.2201 172.4435 *4 Q 4.4692 8.7427 123.4858 57.0090 28.4622 177.7547 *5 N 4.7490 8.7910 125.7067 50.6171 40.0024 172.1618 *6 L 4.1647 8.6394 116.5182 60.1078 40.9364 176.0464 *7 Q 4.1719 7.9661 113.0012 55.4857 27.5788 178.9552 8 G 4.0437 8.1841 109.7396 47.0068 0.0000 175.0703 *9 Q 4.3276 7.7705 122.6750 56.0968 29.7655 181.1869 *10 M 4.6264 8.7117 125.5158 55.0804 32.2178 175.9708 *11 V 4.6047 8.6530 125.2635 59.2404 36.2209 171.7240 *12 H 4.9518 8.7510 120.2459 56.6761 28.9027 175.7905 *13 Q 4.7184 9.0375 120.2441 53.4330 32.1303 175.3126 14 A 4.0863 8.7856 127.3600 52.1193 19.1846 178.4649 *15 I 3.8180 8.2498 121.4965 60.5091 36.3850 177.1521 *16 S 4.5121 8.6054 126.0794 59.7620 63.9262 174.1053 *17 P 4.6645 0.0000 0.0000 66.6915 30.6448 177.3582 *18 R 4.2696 8.0928 120.5269 62.7388 29.3544 184.3810 *19 T 4.1433 7.9378 117.2322 66.4042 68.6559 179.0081 *20 L 4.2480 7.9940 128.1826 60.1896 40.8960 181.6563 *21 N 4.6882 8.7565 120.6032 57.0547 37.4734 179.0039 22 A 4.2271 8.0444 124.5364 55.7090 18.3929 180.3416 *23 W 4.0356 8.7099 124.2601 62.2402 28.2196 181.1969 *24 V 3.8979 8.5106 123.2481 66.3556 31.1056 180.7567 *25 K 4.1691 8.2883 127.4089 60.5893 31.3888 181.6644 *26 V 3.9017 7.8456 122.8039 66.5805 31.7410 181.4764 *27 V 3.9164 7.7159 122.9952 66.4201 31.1996 180.6953 *28 E 4.3698 8.5079 120.1996 60.6049 29.5790 181.2153 *29 E 4.7212 7.8292 117.4312 60.7322 31.0159 182.9273 *30 K 4.4152 8.2489 122.8944 55.3213 32.3583 179.2735 31 A 3.8443 8.3587 122.5828 55.3520 17.9682 181.1198 *32 F 4.7378 8.6476 111.0080 57.8640 38.3455 174.1714 *33 S 4.7333 8.1911 124.5002 56.3887 64.2339 175.6179 *34 P 4.2569 0.0000 0.0000 66.9035 30.4395 179.9156 *35 E 4.2964 8.2704 118.2895 60.7783 29.6909 182.7068 *36 V 4.0818 8.5465 121.0641 66.9667 31.7186 184.6971 *37 I 3.9893 7.6119 121.6050 65.8489 35.3809 181.5928 *38 P 4.6258 0.0000 0.0000 67.4171 30.6456 181.1101 *39 M 4.3170 7.8163 119.8683 60.7876 31.1273 182.9016 *40 F 4.3607 8.0317 123.1049 62.5019 38.3817 179.9532 *41 S 4.4839 8.0357 118.4175 63.1448 61.8918 178.5458 42 A 4.2824 8.0743 126.2870 55.5038 18.2804 180.0388 *43 L 4.3095 8.5141 121.6395 58.6095 41.2743 180.2766 *44 S 4.9514 7.7560 116.2870 58.8092 63.5293 179.8597 *45 E 4.2775 8.3336 118.1735 58.0383 29.9964 179.9884 46 G 3.9263 9.0479 110.9446 44.7927 0.0000 173.1390 47 A 4.3157 7.9992 125.4473 52.6819 19.0045 179.0331 *48 T 4.5382 8.2871 118.9700 61.9095 71.0880 175.0074 *49 P 4.5302 0.0000 0.0000 69.5529 30.5248 178.0089 *50 Q 4.2904 8.2156 122.5844 60.8564 28.1613 180.7713 *51 D 4.6471 8.2485 125.3377 58.8771 39.8459 180.9776 *52 L 4.3121 8.4294 126.6317 59.9827 40.8170 181.8021 *53 N 4.6448 8.4878 122.8696 58.3256 37.3587 179.9299 *54 T 4.0399 8.0888 118.6986 66.7401 68.5895 178.5823 *55 M 4.5056 8.0063 124.5969 60.4046 31.3883 181.9214 *56 L 4.3288 8.1682 126.2927 59.7143 40.8832 180.9954 *57 N 4.8629 8.7466 120.2849 56.9427 37.7592 179.9846 *58 T 4.6834 7.5563 115.7276 63.7946 69.0435 181.4066 *59 V 3.9319 7.1090 118.5949 61.5437 31.9257 181.7544 60 G 3.9265 8.5742 114.6212 44.5295 0.0000 175.1485 61 G 3.6643 8.5562 111.9721 47.0390 0.0000 172.8293 *62 H 3.9946 8.7729 112.5258 56.1129 25.5376 172.8219 *63 Q 4.1028 7.8197 124.0077 60.4437 28.4464 179.5476 64 A 4.2286 7.9566 121.3716 54.9223 18.5113 179.5201 65 A 3.9874 8.0220 121.3564 56.2571 18.5922 180.1069 *66 M 4.0687 8.3217 121.4100 60.7512 31.3368 181.2439 *67 Q 4.3558 8.2055 123.2114 60.9665 28.3891 181.5992 *68 M 4.4062 8.3428 124.5516 60.0639 31.3761 181.7749 *69 L 4.2481 8.2862 125.6709 60.0228 41.1628 182.3082 *70 K 4.1890 8.5325 128.0327 60.5204 31.4818 181.3911 *71 E 4.3646 8.4615 121.9809 61.6952 29.5146 181.9288 *72 T 4.1527 8.0514 117.3692 66.5216 68.5057 179.7098 *73 I 3.9777 7.8839 125.8274 65.9310 35.5331 180.5880 *74 N 4.7127 8.7617 124.1921 57.7439 37.3177 179.6576 *75 E 4.3120 8.5775 122.2191 61.8850 29.7952 183.1727 *76 E 4.2023 8.6644 119.2587 60.7997 29.7707 181.4198 77 A 4.1697 8.4557 121.6474 55.2047 18.5004 179.6932 78 A 4.0462 8.2856 121.7536 55.8109 18.3252 180.3679 *79 E 4.0281 8.5604 119.5298 61.4651 29.8321 182.2957 *80 W 4.3063 8.2699 126.4250 62.2894 28.1360 180.6219 *81 D 4.6859 7.9990 123.2786 58.8701 39.2164 181.2176 *82 R 4.3708 7.9889 123.3829 61.9468 29.6154 181.1789 *83 L 4.7207 8.1472 122.9036 57.3260 42.2858 179.4068 *84 H 4.9948 7.6819 116.4705 52.7273 28.4204 177.4424 *85 P 4.4552 0.0000 0.0000 62.0902 31.6100 177.8516 *86 V 3.8418 8.3329 120.8163 61.3310 32.2708 175.9541 *87 H 4.7982 8.5329 120.4640 51.8580 29.5246 173.1716 88 A 4.2744 8.3031 128.0411 50.4625 19.2923 175.5849 89 G 3.9718 8.7027 108.0337 44.1904 0.0000 172.9491 *90 P 4.3901 0.0000 0.0000 62.3392 31.4106 176.6744 *91 I 4.2794 8.0498 118.2567 58.3310 36.7380 176.3767 92 A 4.3262 8.4338 130.7679 50.4968 19.2400 175.4221 *93 P 4.5869 0.0000 0.0000 63.4168 31.2886 178.3256 94 G 3.9640 9.2602 113.4496 45.1229 0.0000 173.2984 *95 Q 4.7102 7.7576 119.1490 53.9368 31.4006 180.4319 *96 M 4.9277 8.1532 114.7230 54.2423 35.3895 174.2622 *97 R 4.0011 8.7133 119.5162 57.6160 30.0005 177.9339 *98 E 4.2354 8.6693 119.0773 55.2495 30.4337 175.9138 *99 P 4.4092 0.0000 0.0000 61.7708 31.7116 174.7048 *100 R 4.6660 8.2832 123.9237 56.0686 32.4483 176.5590 101 G 3.9789 8.6457 105.5252 50.2965 0.0000 176.5581 *102 S 4.2617 8.2650 123.1948 63.8125 62.2007 178.6570 *103 D 4.6677 8.0604 126.3415 58.7556 39.4462 181.3669 *104 I 3.8874 7.5271 120.3673 65.1242 35.6454 180.1262 105 A 4.4075 7.7550 120.3619 52.7724 18.2722 178.4983 106 G 3.8695 7.9390 107.8993 46.3018 0.0000 175.5894 *107 T 4.0174 8.0491 115.3797 63.9996 68.5248 180.9132 *108 T 4.5133 7.9643 113.0646 60.8070 69.4981 176.5117 *109 S 4.8711 7.8325 119.3926 57.9997 65.1570 180.4478 *110 T 4.4451 8.2465 121.2630 62.2276 70.5954 175.7554 *111 L 4.2573 8.5843 126.8849 61.1819 40.7787 181.4457 *112 Q 4.2886 8.1933 123.6684 60.6915 28.0978 180.6759 *113 E 4.2463 8.3614 122.6040 61.7035 29.7104 181.4553 *114 Q 4.2890 8.2030 124.2398 60.9210 28.1312 181.5058 *115 I 4.1189 7.9175 122.5718 64.6660 35.5077 180.1897 116 G 3.9200 8.6054 110.1764 48.1752 0.0000 176.5725 *117 W 4.0617 8.2189 127.5427 62.1918 28.2469 181.3897 *118 M 4.2555 8.2196 122.4482 59.1775 30.9154 180.0037 *119 T 4.7943 7.8343 112.9675 63.2084 69.8597 179.6122 *120 H 4.5996 7.6753 119.3145 55.7846 28.7675 180.5898 *121 N 4.9113 8.3834 116.7085 51.4814 38.9996 172.6342 *122 P 4.4942 0.0000 0.0000 60.9648 31.6257 172.7211 *123 P 4.5608 0.0000 0.0000 62.2041 31.5877 176.8170 *124 I 4.4450 8.7438 118.7922 59.1953 37.4901 177.0468 *125 P 4.7771 0.0000 0.0000 62.6118 27.8413 173.9068 *126 V 4.0070 7.7841 124.7853 65.7811 31.9459 178.9071 127 G 4.0762 8.0696 108.9638 47.9279 0.0000 176.2919 *128 E 4.0768 8.2289 122.7168 61.5311 29.8423 181.9972 *129 I 4.1086 7.9492 123.5375 65.7226 35.5225 180.7176 *130 Y 4.2951 8.4807 125.4129 62.4086 36.6936 181.3385 *131 K 4.2829 8.5539 127.9919 60.1197 31.7960 182.3413 *132 R 4.2233 8.2139 124.0345 62.1037 29.2856 182.0125 *133 W 4.2919 8.1562 126.3326 61.9267 28.2268 180.8827 *134 I 4.0479 8.2918 123.8586 65.6095 34.8100 181.1096 *135 I 4.1213 8.0876 123.9498 65.5245 35.1336 181.4898 *136 L 4.3152 8.1560 123.9662 59.2764 40.7245 182.0897 137 G 3.9062 8.1446 109.0964 48.3114 0.0000 176.2520 *138 L 4.0915 8.4495 128.0823 59.8466 40.6366 181.2260 *139 N 4.5500 8.2044 121.8620 58.3347 37.3531 179.5151 *140 K 4.4447 7.8688 128.5537 60.0884 31.7672 181.8084 *141 I 4.1046 7.9699 123.3586 65.6231 35.5384 181.9111 *142 V 4.0426 8.3516 123.6173 66.3280 31.1466 180.9144 *143 R 4.5410 7.6383 118.6201 60.3358 29.2858 181.8832 *144 M 4.8269 8.6599 121.9538 58.4621 32.9111 181.9757 *145 Y 4.8403 7.1754 119.5900 59.5837 37.6987 181.5854 *146 S 4.9536 8.2416 117.3345 60.2551 66.6461 181.7826 *147 P 3.9636 0.0000 0.0000 62.6469 33.1518 183.0342 *148 T 4.5703 8.5961 114.0776 61.9386 72.3101 172.5170 *149 S 4.2888 8.5076 113.3265 60.3984 61.5716 171.2631 *150 I 3.7285 7.7808 129.5148 63.4886 36.1379 180.5495 *151 L 3.6593 8.1251 122.2398 57.3198 40.5879 179.9895 *152 D 4.6515 7.5830 115.9230 54.4007 39.9023 182.7869 *153 I 4.2540 8.3486 121.3075 60.1630 34.5150 180.2903 *154 R 4.8847 8.1018 128.5865 54.6375 32.4885 174.4787 *155 Q 4.1951 9.0511 123.8174 54.9262 28.7677 176.2217 156 G 3.7913 8.8627 113.3670 45.3423 0.0000 173.2950 *157 P 4.4032 0.0000 0.0000 64.9853 30.7751 178.8544 *158 K 4.7031 7.8943 119.9549 54.5681 33.1567 178.3491 *159 E 4.3467 7.9129 118.8135 55.9710 30.7346 179.2379 *160 P 4.5634 0.0000 0.0000 63.7979 32.7243 175.7974 *161 F 4.3096 8.9583 126.2097 62.0980 37.9130 176.9715 *162 R 4.2185 8.1492 122.4766 62.4256 29.3267 181.6685 *163 D 4.6827 8.1896 124.1119 58.9552 39.7319 180.4732 *164 Y 4.3070 7.9813 124.0668 62.5225 36.8022 181.9680 *165 V 3.9139 8.0559 123.3341 66.7701 31.8092 181.3381 *166 D 4.6906 8.1283 124.3027 58.9303 39.2129 181.2576 *167 R 4.3666 8.1467 123.3711 61.2016 29.2401 182.0793 *168 F 4.2310 7.8164 121.7039 63.3314 38.3968 182.9187 *169 Y 4.3800 8.0749 123.7228 61.6602 36.7504 180.4865 *170 K 4.3674 8.2038 125.8211 60.8963 31.6908 184.7547 *171 T 4.4408 7.6558 116.3633 66.3713 68.3945 181.3737 *172 L 4.3231 7.8125 126.6819 60.0719 40.7645 183.3876 *173 R 4.0947 7.9673 120.8739 61.3942 29.1959 180.6440 174 A 4.2983 7.4286 121.6165 55.7098 18.3628 179.3373 *175 E 4.3760 7.9095 115.5196 57.4081 30.9528 179.0584 *176 Q 3.4654 8.8146 117.3696 56.8787 25.8273 178.5823 177 A 4.1633 8.3622 124.9057 52.5554 19.6699 179.7038 *178 S 4.5143 8.5914 124.9081 60.4899 64.4307 173.4351 *179 Q 4.3590 8.6627 123.6003 61.9782 27.2273 178.6030 *180 E 4.2816 8.2421 121.0045 61.9736 29.7858 183.7207 *181 V 3.9348 7.8570 122.7393 66.4492 31.7982 180.7912 *182 K 4.1870 8.1776 127.1488 60.3718 31.2710 181.3760 *183 N 4.5761 7.9911 119.4258 57.4958 37.5021 180.2130 184 A 4.2079 7.8002 122.1909 54.9094 18.4152 179.6699 185 A 4.0515 8.4803 122.1086 56.0052 18.7230 180.7152 *186 T 3.8962 8.2192 115.6660 66.9309 68.4023 179.9832 *187 E 4.3736 8.0762 122.3672 61.0574 29.9155 178.8484 *188 T 4.5614 8.0194 109.4110 61.9829 72.3079 181.1134 *189 L 4.1202 8.4515 125.3023 60.4839 41.2368 182.0073 *190 L 4.2739 8.0768 124.7096 60.0120 40.9440 182.1653 *191 V 4.0605 7.3200 122.2440 66.6238 31.4327 180.9528 *192 Q 4.3597 8.2686 123.2313 60.3389 28.1847 179.7470 *193 N 5.0189 8.6371 120.2202 53.6459 37.8951 176.7155 194 A 4.9206 6.9621 126.4981 52.1849 20.8420 179.1322 *195 N 4.6786 8.5242 121.9663 54.0165 39.5501 175.8150 *196 P 4.4967 0.0000 0.0000 68.9734 30.8919 180.1849 *197 D 4.6614 8.1807 122.9429 58.9709 39.7878 181.4653 *198 C 4.5960 8.2442 122.8537 60.6228 41.0714 178.2665 *199 K 3.9116 8.6290 129.4913 60.5302 31.1481 181.7556 *200 T 4.2546 7.8534 117.0281 66.5456 68.4564 180.7991 *201 I 3.9754 7.7118 125.2634 65.5866 35.3668 180.7603 *202 L 4.2770 8.4962 126.0936 60.0064 40.5650 181.9400 *203 K 4.3119 8.2356 124.5143 59.3958 31.3087 180.8509 204 A 4.1125 7.9589 122.4514 55.7561 18.4111 180.0578 *205 L 4.0464 7.7514 120.2139 57.1523 41.2180 181.3331 206 G 4.1988 7.1701 104.3376 45.9871 0.0000 172.1347 *207 P 4.2932 0.0000 0.0000 62.7870 31.1773 177.0155 208 G 4.2348 8.9924 113.0616 44.7383 0.0000 173.2528 209 A 4.4561 7.8884 123.7789 51.4868 20.4602 179.4732 *210 T 4.3940 8.1924 118.2730 62.7557 70.9665 177.3357 *211 L 4.3270 8.4919 125.0729 61.3751 40.5745 179.9921 *212 E 4.3728 8.2621 120.1224 61.4416 29.7778 182.4000 *213 E 4.3233 8.1409 119.6683 61.9852 29.4881 183.6194 *214 M 4.3556 8.1654 123.4144 60.7317 31.2857 181.7474 *215 M 4.3980 7.9081 122.9158 60.2651 31.5111 180.9802 *216 T 4.2680 7.4717 113.4818 66.0807 68.8549 179.6047 217 A 4.4980 8.1655 124.7359 54.4133 18.3964 177.5868 *218 C 5.0013 7.7104 115.7755 55.2524 41.5690 180.0371 *219 Q 4.2647 8.2878 124.7950 56.1174 27.7439 178.6355 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 P 0.00 4.50 0.00 1.78 2.00 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.61 0.00 *2 I 8.27 4.36 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 1.09 1.03 0.91 0.00 0.00 *3 V 8.94 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 0.64 0.00 0.00 0.93 0.00 0.00 *4 Q 8.74 4.47 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.92 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 *5 N 8.79 4.75 0.00 2.74 2.67 0.00 0.00 6.99 7.30 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 *6 L 8.64 4.16 0.00 1.56 1.70 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *7 Q 7.97 4.17 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 8 G 8.18 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 *9 Q 7.77 4.33 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.03 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 *10 M 8.71 4.63 0.00 1.80 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.11 0.00 *11 V 8.65 4.60 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 0.66 0.00 0.00 0.93 0.00 0.00 *12 H 8.75 4.95 0.00 2.69 2.87 0.00 7.12 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *13 Q 9.04 4.72 0.00 1.72 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 14 A 8.79 4.09 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 *15 I 8.25 3.82 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 1.27 0.73 0.91 0.00 0.00 *16 S 8.61 4.51 0.00 3.73 3.77 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 *17 P 0.00 4.66 0.00 2.07 2.09 0.00 3.70 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 2.02 1.65 0.00 *18 R 8.09 4.27 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 *19 T 7.94 4.14 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 1.21 0.00 0.00 *20 L 7.99 4.25 0.00 1.66 1.71 0.92 0.80 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 *21 N 8.76 4.69 0.00 2.67 2.86 0.00 0.00 7.01 7.17 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 22 A 8.04 4.23 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 *23 W 8.71 4.04 0.00 2.46 2.31 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 0.00 0.00 0.00 0.00 *24 V 8.51 3.90 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 0.71 0.00 0.00 0.93 0.00 0.00 *25 K 8.29 4.17 0.00 1.75 1.89 0.00 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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 1.23 0.91 0.00 0.00 *125 P 0.00 4.78 0.00 2.07 1.99 0.00 3.70 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 2.01 1.64 0.00 *126 V 7.78 4.01 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 0.77 0.00 0.00 0.93 0.00 0.00 127 G 8.07 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 0.00 0.00 0.00 0.00 *128 E 8.23 4.08 0.00 1.99 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 1.94 0.00 *129 I 7.95 4.11 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 1.38 0.54 0.91 0.00 0.00 *130 Y 8.48 4.30 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *131 K 8.55 4.28 0.00 1.75 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *132 R 8.21 4.22 0.00 1.82 1.98 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 *133 W 8.16 4.29 0.00 2.52 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *134 I 8.29 4.05 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 1.38 0.54 0.91 0.00 0.00 *135 I 8.09 4.12 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 1.38 0.54 0.91 0.00 0.00 *136 L 8.16 4.32 0.00 1.66 1.71 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.14 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 0.00 0.00 0.00 *138 L 8.45 4.09 0.00 1.62 1.70 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *139 N 8.20 4.55 0.00 2.81 2.79 0.00 0.00 7.01 7.08 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 *140 K 7.87 4.44 0.00 1.73 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *141 I 7.97 4.10 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 1.38 0.54 0.91 0.00 0.00 *142 V 8.35 4.04 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 0.71 0.00 0.00 0.93 0.00 0.00 *143 R 7.64 4.54 0.00 1.92 1.85 0.00 3.20 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 *144 M 8.66 4.83 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 *145 Y 7.18 4.84 0.00 2.42 2.18 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 *146 S 8.24 4.95 0.00 3.56 3.69 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 *147 P 0.00 3.96 0.00 2.14 1.26 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.62 0.00 *148 T 8.60 4.57 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 1.21 0.00 0.00 *149 S 8.51 4.29 0.00 3.74 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 I 7.78 3.73 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 1.27 0.54 0.91 0.00 0.00 *151 L 8.13 3.66 0.00 1.65 1.65 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *152 D 7.58 4.65 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 I 8.35 4.25 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 1.16 1.16 0.91 0.00 0.00 *154 R 8.10 4.88 0.00 1.55 1.69 0.00 3.23 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 1.44 1.16 0.00 *155 Q 9.05 4.20 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 156 G 8.86 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 *157 P 0.00 4.40 0.00 2.10 1.99 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.60 0.00 *158 K 7.89 4.70 0.00 1.71 1.63 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 0.96 7.81 *159 E 7.91 4.35 0.00 1.94 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 2.25 2.12 0.00 *160 P 0.00 4.56 0.00 2.07 1.96 0.00 3.72 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 2.02 1.65 0.00 *161 F 8.96 4.31 0.00 2.27 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 0.00 0.00 0.00 0.00 *162 R 8.15 4.22 0.00 1.81 1.98 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 *163 D 8.19 4.68 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *164 Y 7.98 4.31 0.00 2.35 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 *165 V 8.06 3.91 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 0.71 0.00 0.00 0.93 0.00 0.00 *166 D 8.13 4.69 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *167 R 8.15 4.37 0.00 1.85 1.96 0.00 3.23 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 *168 F 7.82 4.23 0.00 2.23 2.31 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 0.00 0.00 0.00 0.00 *169 Y 8.07 4.38 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *170 K 8.20 4.37 0.00 1.78 1.85 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *171 T 7.66 4.44 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 1.21 0.00 0.00 *172 L 7.81 4.32 0.00 1.59 1.70 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *173 R 7.97 4.09 0.00 1.85 1.96 0.00 3.27 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 174 A 7.43 4.30 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 *175 E 7.91 4.38 0.00 2.06 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 2.23 2.18 0.00 *176 Q 8.81 3.47 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 177 A 8.36 4.16 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 *178 S 8.59 4.51 0.00 3.75 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 *179 Q 8.66 4.36 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.89 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 *180 E 8.24 4.28 0.00 1.97 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 2.31 1.94 0.00 *181 V 7.86 3.93 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 0.75 0.00 0.00 0.93 0.00 0.00 *182 K 8.18 4.19 0.00 1.78 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 *183 N 7.99 4.58 0.00 2.70 2.85 0.00 0.00 6.86 7.27 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 0.00 184 A 7.80 4.21 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 0.00 185 A 8.48 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 *186 T 8.22 3.90 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 1.21 0.00 0.00 *187 E 8.08 4.37 0.00 2.02 1.90 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 2.26 2.19 0.00 *188 T 8.02 4.56 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 1.21 0.00 0.00 *189 L 8.45 4.12 0.00 1.64 1.73 0.92 0.50 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 *190 L 8.08 4.27 0.00 1.73 1.62 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *191 V 7.32 4.06 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 0.71 0.00 0.00 0.93 0.00 0.00 *192 Q 8.27 4.36 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 7.49 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 *193 N 8.64 5.02 0.00 2.67 2.80 0.00 0.00 6.87 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 6.96 4.92 1.23 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 0.00 0.00 *195 N 8.52 4.68 0.00 2.74 2.71 0.00 0.00 6.64 7.76 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 *196 P 0.00 4.50 0.00 2.06 2.13 0.00 3.70 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 2.04 1.70 0.00 *197 D 8.18 4.66 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *198 C 8.24 4.60 0.00 2.83 3.12 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 0.00 *199 K 8.63 3.91 0.00 1.71 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.34 7.81 *200 T 7.85 4.25 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 1.21 0.00 0.00 *201 I 7.71 3.98 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 1.38 0.54 0.91 0.00 0.00 *202 L 8.50 4.28 0.00 1.70 1.62 0.92 0.95 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 *203 K 8.24 4.31 0.00 1.77 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 204 A 7.96 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 *205 L 7.75 4.05 0.00 1.77 1.61 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 206 G 7.17 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 *207 P 0.00 4.29 0.00 2.10 1.86 0.00 3.72 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 1.94 1.59 0.00 208 G 8.99 4.23 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 0.00 0.00 0.00 209 A 7.89 4.46 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 *210 T 8.19 4.39 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 1.21 0.00 0.00 *211 L 8.49 4.33 0.00 1.64 1.71 0.92 0.82 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 *212 E 8.26 4.37 0.00 1.97 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 2.31 1.94 0.00 *213 E 8.14 4.32 0.00 1.97 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 2.31 1.94 0.00 *214 M 8.17 4.36 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 *215 M 7.91 4.40 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 *216 T 7.47 4.27 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 1.21 0.00 0.00 217 A 8.17 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 *218 C 7.71 5.00 0.00 2.71 2.90 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 *219 Q 8.29 4.26 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.62 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.