NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3719 8.1032 121.1019 56.3658 30.9293 177.2741 4 D 4.0525 7.9829 117.3691 55.1718 40.9071 176.2360 5 P 4.3720 0.0000 0.0000 64.8079 32.7444 176.2433 6 T 4.3933 7.2822 109.4435 61.6499 69.0243 176.3778 7 Q 4.1631 7.5580 123.8804 58.7892 29.2204 176.3374 8 Q 4.3937 7.7601 115.0065 56.1423 29.9442 177.2336 9 L 3.9732 7.4867 119.6011 58.0152 42.1279 178.2669 10 E 3.3640 7.8878 118.7007 58.7430 29.6933 176.7531 11 P 4.2100 0.0000 0.0000 65.4248 31.3602 178.3012 12 F 4.2623 7.9352 119.2879 61.3977 39.2772 177.2190 13 L 3.3174 7.6998 118.4864 57.4783 41.1966 179.7054 14 K 3.8250 7.8255 118.4417 59.3297 31.9533 179.6918 15 R 3.8443 7.9533 118.4244 58.9951 29.7557 178.7336 16 F 3.9763 7.6746 119.3167 61.3743 39.7803 176.8764 17 L 3.6921 7.9041 118.3400 57.5659 41.3776 179.2929 18 A 4.0299 8.1831 121.2543 55.1995 18.1273 179.8475 19 S 4.0941 7.9111 112.6040 61.3699 62.8069 176.6203 20 L 4.0719 7.2622 121.3230 56.6241 41.4260 177.3070 21 D 5.0086 7.4221 116.1196 53.6628 41.0897 176.2396 22 L 4.0521 7.9481 122.0910 55.3319 42.3709 176.1551 23 L 4.3874 8.5378 128.0542 54.5080 43.2083 175.2243 24 Y 4.1605 8.4681 126.9910 57.2556 39.3027 173.8480 25 T 4.3391 7.7116 120.9792 59.9342 69.6975 172.4570 26 Q 3.9643 8.1423 130.2906 54.0714 29.9585 173.5454 27 P 4.3497 0.0000 0.0000 62.8364 31.9132 177.4633 28 T 4.0642 8.3290 111.5843 63.6967 69.0195 175.5506 29 S 4.2039 7.9780 115.7598 59.5562 63.5580 173.6792 30 Q 4.5485 7.6009 121.2337 53.4623 29.3342 173.8840 31 P 4.1861 0.0000 0.0000 64.1785 31.8551 176.3762 32 F 5.0722 7.5883 116.5463 54.2794 41.8422 173.1875 33 P 4.9279 0.0000 0.0000 62.7383 31.4069 176.1390 34 N 4.8555 8.6979 120.4182 51.6940 38.6299 174.8439 35 V 3.7246 8.1362 124.1555 65.4304 31.8693 176.8184 36 E 3.9771 8.2243 118.9559 59.3818 29.3862 178.8516 37 S 4.2814 8.1857 112.6518 61.0743 63.3544 175.6475 38 Y 4.3766 7.9196 121.9172 60.6370 38.7978 177.1659 39 A 3.8900 8.4315 122.2105 55.2548 18.2804 179.2962 40 T 4.3180 7.7323 107.7662 63.3438 69.0502 175.9574 41 Q 4.3022 7.6182 119.8810 55.8245 29.2676 175.7650 42 L 4.3960 6.6614 120.9495 54.8237 42.2506 177.1000 43 G 3.9857 8.3899 113.8032 46.3619 0.0000 175.6016 44 S 4.1876 8.1979 114.6318 60.6534 63.4524 174.8157 45 N 5.0663 8.1200 116.7554 53.7549 38.7434 174.8911 46 L 4.3177 7.8173 119.4638 54.3364 42.4776 177.2395 47 K 4.2114 8.5225 122.2522 55.8895 32.5159 178.1170 48 R 3.9056 8.7944 122.7485 59.2142 29.9294 177.9667 49 S 4.6962 7.7484 109.8404 57.7652 63.4654 174.0998 50 S 4.4857 7.6839 115.1483 59.2380 63.7298 173.3751 51 A 4.4329 8.6313 123.9666 51.3822 19.8069 176.4225 52 I 4.9678 8.3473 122.9828 59.6852 41.0625 174.7809 53 I 5.0158 8.8626 126.6033 59.4837 41.2328 174.4057 54 V 4.6922 8.4851 126.5363 61.2979 34.0426 175.3311 55 N 4.3819 10.1862 127.8253 54.4733 36.5345 175.6670 56 G 3.8995 8.4881 104.7469 45.4356 0.0000 173.6417 57 Q 4.4898 7.8369 119.9316 53.1664 29.2787 173.2401 58 P 4.8502 0.0000 0.0000 62.8697 32.2167 176.0353 59 I 4.1451 8.6462 124.1091 61.1717 37.8739 175.2700 60 I 4.5499 8.2340 128.0145 58.5881 38.6562 174.0639 61 P 4.3462 0.0000 0.0000 62.8556 31.7469 175.7004 62 S 4.8591 8.1510 115.4334 55.5446 65.5188 172.2214 63 P 4.3134 0.0000 0.0000 65.5720 31.1287 177.4208 64 Q 4.2858 7.9751 116.8042 56.7219 29.9432 175.1203 65 E 4.5851 8.1606 117.6628 53.5941 32.7467 175.3398 66 D 4.8700 8.4993 124.0939 52.8081 42.0789 176.9846 67 C 4.2103 8.4831 116.6210 62.6518 27.9681 176.1846 68 K 3.9783 7.8456 120.3011 59.4238 31.8098 178.6264 69 L 3.9774 8.3412 120.5061 58.3421 42.0499 178.8403 70 Q 4.0298 8.1890 118.0048 58.9745 28.6328 178.7233 71 F 4.1360 8.4891 121.6257 61.4816 39.1606 177.2319 72 Q 3.9575 8.4458 117.7690 58.9071 28.2598 178.9713 73 K 4.0917 7.9901 118.7113 59.0884 32.1777 179.4419 74 K 4.0549 7.8166 118.9812 59.2481 32.0906 179.3208 75 W 3.8526 8.1182 129.0077 60.0435 30.2611 177.6069 76 L 3.9950 7.7782 119.7916 58.1752 41.5302 178.4309 77 Q 4.1079 7.5197 116.0937 56.3911 29.1261 176.5562 78 T 3.8259 6.5884 110.4851 60.2169 69.4743 172.6933 79 P 4.3982 0.0000 0.0000 61.9569 32.2681 175.9275 80 L 4.3378 8.4656 121.7603 56.0327 42.8529 175.9364 81 S 5.1478 8.8896 119.0508 56.7232 66.4793 173.7363 82 S 4.4016 8.2517 115.0958 57.2528 64.6368 172.2449 83 H 5.2605 9.6312 125.3240 54.6740 30.4267 174.9622 84 Q 4.4996 9.0607 123.5448 53.8390 31.4885 174.3138 85 L 4.4999 8.6884 129.7386 55.6322 42.1038 176.3474 86 T 4.7016 8.5991 115.7406 62.2817 71.2018 174.1695 87 S 4.8413 8.0210 114.3270 57.9386 65.9213 173.4001 88 Y 5.5842 8.0055 118.2189 56.6713 40.8601 173.1693 89 D 4.8149 9.3557 118.7584 52.3842 43.0083 174.4666 90 G 4.7352 8.5470 106.7396 45.4237 0.0000 171.3598 91 H 5.0915 9.1183 117.1837 53.6502 33.5628 172.9777 92 L 4.6266 8.7008 124.9679 55.3919 43.2940 176.4027 93 I 4.2744 8.6091 127.1243 59.1707 38.0970 173.6198 94 P 4.2935 0.0000 0.0000 64.4905 31.4861 177.2781 95 G 3.9922 9.1271 111.1174 45.5704 0.0000 173.5639 96 T 4.2837 7.5884 107.6999 60.4351 70.3181 175.2621 97 G 3.9953 8.3047 110.1973 46.3660 0.0000 172.6113 98 T 5.1694 7.7111 108.4543 59.3708 72.4901 172.6079 99 F 5.4486 8.5406 117.5164 55.1485 41.5398 174.0408 100 V 4.6277 8.5479 120.6036 61.7972 33.2943 174.7695 101 V 5.1258 8.9166 127.3173 61.4602 34.8433 173.2826 102 H 5.4925 9.3087 127.8811 54.4761 32.0710 173.0846 103 F 5.5385 8.7463 119.5499 55.4440 41.9550 173.4560 104 S 5.3192 9.1981 115.1384 57.1147 66.5568 173.0125 105 A 5.1627 8.9404 123.4102 50.8176 23.4507 174.8151 106 K 5.3138 8.6174 118.3192 55.2841 35.5251 175.9064 107 V 5.2613 9.1264 121.2315 60.1934 35.1321 174.3692 108 R 5.0669 8.4654 118.3877 54.5489 33.5345 173.7451 109 F 5.6614 8.6099 116.4518 55.3637 43.5378 174.0119 110 D 4.6181 9.2295 122.1932 54.9134 40.6440 175.9775 111 Q 4.6134 9.1706 124.3561 55.6821 29.5951 177.7693 112 S 4.1701 8.2217 115.3495 60.0809 62.9919 175.4710 113 G 3.9943 7.4978 108.0672 44.9637 0.0000 173.8233 114 R 4.3833 7.3857 118.9920 55.3583 31.1987 176.5864 115 N 4.6997 8.3766 118.9277 51.9427 39.2833 175.7138 116 R 4.0339 8.3017 115.6506 58.5049 30.2827 177.3653 117 L 3.5930 7.8164 116.3670 54.0692 41.7140 177.0780 118 G 3.8602 8.0200 106.7130 45.7356 0.0000 173.2632 119 E 4.6496 8.2432 119.0684 54.4669 32.5702 174.7232 120 S 4.1728 8.8357 119.1435 59.0692 61.3103 173.8270 121 A 4.1676 8.7835 134.9721 53.0625 22.6537 177.9842 *137 R 3.9766 7.9694 111.5992 54.6965 29.3552 172.9868 138 P 4.1533 0.0000 0.0000 62.9446 32.4284 176.0431 139 I 4.0787 8.2136 123.9823 59.1981 38.7155 174.9785 140 W 4.8538 8.3931 127.8745 56.8610 29.6685 177.2880 141 G 4.1921 8.5381 112.5368 45.6894 0.0000 173.5229 142 S 4.5087 8.6678 116.0649 57.9733 63.8855 174.5417 143 W 4.8637 8.7048 122.8893 57.2824 29.5481 175.8021 144 F 5.0391 10.2782 123.8526 56.2932 41.0844 175.0635 145 G 4.6164 9.1148 108.7921 45.2512 0.0000 172.9597 146 V 5.1346 8.7835 122.3639 60.9754 35.5021 173.7919 147 D 5.3178 8.8373 126.3729 52.4196 44.2868 175.1196 148 V 4.5784 8.0968 121.9767 60.9623 35.1416 173.6447 149 N 5.3782 8.9210 124.6388 51.4459 41.2899 173.4844 150 L 5.1075 8.9614 123.5846 52.7685 45.6974 175.5869 151 V 4.5595 8.2634 122.2400 61.1445 33.7739 174.5313 152 V 4.6109 8.0119 127.5560 60.5308 33.7720 174.5486 153 D 4.6898 8.6716 126.6109 54.6197 41.4651 177.0085 154 E 4.1798 8.6466 122.1952 60.0303 30.0377 178.3583 155 N 4.6056 7.5947 116.4003 52.4867 36.9265 175.1713 156 V 3.7334 7.9066 120.5286 61.9959 32.8579 176.8140 157 M 4.5560 7.6312 121.5224 55.7887 32.1031 175.6828 158 Q 4.4004 7.7395 118.3790 55.4541 31.7322 177.9415 159 D 4.8533 8.4185 114.2096 54.3841 39.1592 174.4152 160 G 4.0106 7.2454 108.5385 44.5735 0.0000 173.3060 161 E 4.6637 8.6396 121.6867 55.8719 28.4917 175.7084 162 I 4.4541 8.0198 116.6545 60.3276 40.7698 175.1118 163 I 4.1419 7.9847 125.3582 60.9218 37.4495 176.5866 164 N 4.6079 9.2438 126.5379 55.5746 39.9383 175.5463 165 S 5.1264 7.6043 111.4832 57.1634 66.7305 173.1201 166 M 4.9960 9.1498 121.8428 53.9090 35.6712 173.1301 167 D 5.1835 9.1253 126.0380 52.8484 43.8444 173.5482 168 Y 4.8031 8.8986 128.3978 55.6978 41.3928 174.4311 169 R 5.0144 8.1067 126.2189 54.5613 33.9019 173.8788 170 F 5.3707 9.6021 126.7588 58.2119 38.9461 175.4310 171 T 4.5892 9.1098 113.9407 62.3062 70.3727 174.2932 172 Y 4.7974 7.9815 123.6389 56.0798 42.5559 173.3635 173 V 3.8495 7.2692 125.9861 59.7605 33.4696 173.4522 174 P 4.1557 0.0000 0.0000 62.3711 31.9488 177.2050 175 N 3.9800 8.5382 117.5935 55.5198 38.9173 175.0062 176 D 4.4875 7.3257 121.9103 53.3301 39.7223 176.1185 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 3 Q 8.10 4.37 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 4 D 7.98 4.05 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.37 0.00 2.05 2.11 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 1.92 1.91 0.00 6 T 7.28 4.39 4.33 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 1.14 0.00 0.00 7 Q 7.56 4.16 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.88 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 8 Q 7.76 4.39 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 9 L 7.49 3.97 0.00 1.76 1.54 1.06 1.00 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 10 E 7.89 3.36 0.00 1.92 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 2.28 2.18 0.00 11 P 0.00 4.21 0.00 2.21 2.08 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 12 F 7.94 4.26 0.00 3.07 3.29 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 13 L 7.70 3.32 0.00 1.40 0.98 0.42 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.83 3.83 0.00 1.84 1.77 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.43 7.81 15 R 7.95 3.84 0.00 2.01 1.98 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 16 F 7.67 3.98 0.00 2.41 2.81 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 17 L 7.90 3.69 0.00 1.71 1.59 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.18 4.03 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 19 S 7.91 4.09 0.00 4.17 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 20 L 7.26 4.07 0.00 1.67 1.69 0.17 0.01 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 21 D 7.42 5.01 0.00 2.85 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 22 L 7.95 4.05 0.00 1.77 1.72 1.00 1.06 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 23 L 8.54 4.39 0.00 1.75 1.64 0.98 0.97 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 24 Y 8.47 4.16 0.00 2.14 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 25 T 7.71 4.34 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 1.13 0.00 0.00 26 Q 8.14 3.96 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 27 P 0.00 4.35 0.00 2.19 1.93 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.04 0.00 28 T 8.33 4.06 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 1.18 0.00 0.00 29 S 7.98 4.20 0.00 4.00 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 30 Q 7.60 4.55 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 31 P 0.00 4.19 0.00 1.36 1.90 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 32 F 7.59 5.07 0.00 3.06 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 33 P 0.00 4.93 0.00 2.17 2.09 0.00 3.60 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 2.05 1.96 0.00 34 N 8.70 4.86 0.00 2.84 2.90 0.00 0.00 6.83 7.71 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 35 V 8.14 3.72 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.89 0.00 0.00 36 E 8.22 3.98 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 2.42 2.40 0.00 37 S 8.19 4.28 0.00 4.19 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.92 4.38 0.00 3.45 3.28 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 39 A 8.43 3.89 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 40 T 7.73 4.32 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 1.28 0.00 0.00 41 Q 7.62 4.30 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 42 L 6.66 4.40 0.00 1.74 1.65 0.93 0.81 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 43 G 8.39 3.99 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 0.00 0.00 0.00 44 S 8.20 4.19 0.00 4.01 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.12 5.07 0.00 3.08 3.09 0.00 0.00 7.63 6.74 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 46 L 7.82 4.32 0.00 1.72 1.57 0.69 0.60 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 47 K 8.52 4.21 0.00 1.89 1.70 0.00 1.65 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.47 7.81 48 R 8.79 3.91 0.00 1.84 1.95 0.00 3.16 0.00 0.00 3.49 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 49 S 7.75 4.70 0.00 3.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.68 4.49 0.00 3.85 4.06 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 51 A 8.63 4.43 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 52 I 8.35 4.97 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.68 0.80 0.00 0.00 53 I 8.86 5.02 1.88 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 1.12 0.75 0.98 0.00 0.00 54 V 8.49 4.69 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 1.09 0.00 0.00 1.12 0.00 0.00 55 N 10.19 4.38 0.00 2.89 2.92 0.00 0.00 7.17 7.34 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 56 G 8.49 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.84 4.49 0.00 2.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 58 P 0.00 4.85 0.00 2.08 2.06 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 59 I 8.65 4.15 1.92 0.00 0.00 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 1.30 0.62 1.06 0.00 0.00 60 I 8.23 4.55 1.88 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 1.41 0.56 0.92 0.00 0.00 61 P 0.00 4.35 0.00 2.18 2.06 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 62 S 8.15 4.86 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.31 0.00 2.06 2.19 0.00 3.67 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 2.04 2.10 0.00 64 Q 7.98 4.29 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 65 E 8.16 4.59 0.00 2.05 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 66 D 8.50 4.87 0.00 3.05 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 67 C 8.48 4.21 0.00 3.10 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 68 K 7.85 3.98 0.00 2.07 2.01 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.52 7.81 69 L 8.34 3.98 0.00 1.92 1.85 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.19 4.03 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 71 F 8.49 4.14 0.00 3.16 3.26 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 0.00 72 Q 8.45 3.96 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 73 K 7.99 4.09 0.00 1.88 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 74 K 7.82 4.05 0.00 1.86 1.78 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.52 7.81 75 W 8.12 3.85 0.00 2.35 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 76 L 7.78 3.99 0.00 1.80 1.88 1.09 0.71 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 77 Q 7.52 4.11 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 78 T 6.59 3.83 3.73 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 0.00 0.00 0.00 0.55 0.00 0.00 79 P 0.00 4.40 0.00 2.19 2.11 0.00 3.35 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 80 L 8.47 4.34 0.00 1.84 1.63 1.15 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.89 5.15 0.00 3.67 3.75 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 82 S 8.25 4.40 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 9.63 5.26 0.00 3.14 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 9.06 4.50 0.00 1.98 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 85 L 8.69 4.50 0.00 1.56 1.50 0.77 0.71 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 86 T 8.60 4.70 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 87 S 8.02 4.84 0.00 3.87 3.95 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 88 Y 8.01 5.58 0.00 3.06 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 89 D 9.36 4.81 0.00 2.77 2.73 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 0.00 0.00 0.00 0.00 90 G 8.55 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 91 H 9.12 5.09 0.00 3.12 3.17 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 92 L 8.70 4.63 0.00 1.66 1.60 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.61 4.27 1.89 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 1.27 1.14 0.92 0.00 0.00 94 P 0.00 4.29 0.00 2.04 2.03 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 95 G 9.13 3.99 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 0.00 0.00 0.00 96 T 7.59 4.28 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 1.25 0.00 0.00 97 G 8.30 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 0.00 0.00 0.00 0.00 98 T 7.71 5.17 4.18 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 1.19 0.00 0.00 99 F 8.54 5.45 0.00 3.25 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 0.00 100 V 8.55 4.63 2.17 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 0.96 0.00 0.00 0.94 0.00 0.00 101 V 8.92 5.13 2.30 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 1.33 0.00 0.00 1.41 0.00 0.00 102 H 9.31 5.49 0.00 3.37 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.75 5.54 0.00 3.29 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 0.00 104 S 9.20 5.32 0.00 3.83 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 0.00 105 A 8.94 5.16 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 0.00 106 K 8.62 5.31 0.00 1.65 1.66 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 0.21 7.81 107 V 9.13 5.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.35 0.00 0.00 108 R 8.47 5.07 0.00 1.81 1.72 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.82 0.00 109 F 8.61 5.66 0.00 2.96 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 0.00 110 D 9.23 4.62 0.00 2.50 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 0.00 111 Q 9.17 4.61 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.68 2.46 0.00 112 S 8.22 4.17 0.00 3.88 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 0.00 113 G 7.50 3.99 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 0.00 0.00 0.00 114 R 7.39 4.38 0.00 1.77 1.80 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 138 P 0.00 4.15 0.00 0.49 1.50 0.00 3.58 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 139 I 8.21 4.08 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.46 0.85 0.00 0.00 140 W 8.39 4.85 0.00 3.08 2.81 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 0.00 141 G 8.54 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 0.00 0.00 0.00 142 S 8.67 4.51 0.00 3.81 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 W 8.70 4.86 0.00 3.21 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 0.00 144 F 10.28 5.04 0.00 3.08 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 0.00 145 G 9.11 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 0.00 146 V 8.78 5.13 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 0.27 0.00 0.00 1.31 0.00 0.00 147 D 8.84 5.32 0.00 2.63 2.42 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 0.00 148 V 8.10 4.58 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 0.00 0.00 0.87 0.00 0.00 0.46 0.00 0.00 149 N 8.92 5.38 0.00 2.59 2.65 0.00 0.00 6.52 6.50 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 0.00 150 L 8.96 5.11 0.00 1.52 1.39 0.67 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.26 4.56 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 0.96 0.00 0.00 0.87 0.00 0.00 152 V 8.01 4.61 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 0.00 0.00 0.52 0.00 0.00 0.68 0.00 0.00 153 D 8.67 4.69 0.00 2.52 2.52 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 0.00 154 E 8.65 4.18 0.00 1.90 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 0.00 2.44 2.44 0.00 155 N 7.59 4.61 0.00 2.67 2.77 0.00 0.00 7.08 7.56 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 0.00 156 V 7.91 3.73 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.03 0.00 0.00 157 M 7.63 4.56 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 158 Q 7.74 4.40 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 5.59 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 159 D 8.42 4.85 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 7.25 4.01 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 0.00 161 E 8.64 4.66 0.00 1.97 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 2.44 2.31 0.00 162 I 8.02 4.45 1.74 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.15 0.87 0.00 0.00 163 I 7.98 4.14 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.04 0.78 0.00 0.00 164 N 9.24 4.61 0.00 2.71 2.79 0.00 0.00 6.09 7.38 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 0.00 165 S 7.60 5.13 0.00 3.86 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 0.00 166 M 9.15 5.00 0.00 1.84 1.71 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 167 D 9.13 5.18 0.00 2.77 2.45 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 0.00 0.00 0.00 0.00 168 Y 8.90 4.80 0.00 3.02 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 0.00 169 R 8.11 5.01 0.00 1.87 1.63 0.00 3.15 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 170 F 9.60 5.37 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 9.11 4.59 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 1.27 0.00 0.00 172 Y 7.98 4.80 0.00 3.12 2.96 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 0.00 173 V 7.27 3.85 1.79 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 0.61 0.00 0.00 0.93 0.00 0.00 174 P 0.00 4.16 0.00 2.30 2.15 0.00 2.20 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 175 N 8.54 3.98 0.00 2.71 2.89 0.00 0.00 6.94 8.06 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 0.00 176 D 7.33 4.49 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.