NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5033 8.4045 118.7933 54.5155 33.5283 173.4538 2 S 4.8417 8.2275 112.0287 58.3670 64.9904 165.5018 3 A 4.3479 8.7791 120.7036 54.9000 22.7729 174.8429 4 Q 2.7603 7.7607 116.8660 54.2569 30.6452 170.9778 5 K 4.2636 7.2225 115.1956 57.0488 35.6374 171.4064 6 A 4.7200 8.3116 118.7414 54.7799 22.9564 174.6070 7 P 4.5281 0.0000 0.0000 62.7901 34.5466 171.0223 8 K 3.8304 10.7800 115.8452 54.7380 28.1973 181.0261 *9 W 4.4983 7.2535 118.3983 54.4193 30.9205 174.2346 *10 Y 4.0757 9.4468 127.3622 56.7165 33.8185 169.3927 11 P 4.3657 0.0000 0.0000 62.6736 28.7528 175.7547 12 S 4.5529 8.2246 121.5254 58.0237 64.5835 177.9210 13 E 3.5127 9.8654 114.9825 58.9908 27.1455 176.5022 14 D 4.3965 8.6619 123.2423 53.1649 43.5990 172.3684 15 V 3.4644 8.4578 110.6167 63.3678 29.2785 172.0100 16 A 4.5342 7.5558 132.9675 50.2396 17.6689 179.3792 17 A 3.7816 8.8941 123.4581 54.5948 16.5730 177.2578 18 L 4.2887 8.0411 126.9146 55.9242 45.7739 180.6423 19 K 4.3247 8.4903 118.3670 54.7843 31.3784 179.9587 20 K 4.7028 7.7392 119.6458 55.8607 30.6929 176.9838 21 T 5.3271 8.1229 120.6256 63.5921 71.0458 171.0832 22 R 4.6196 7.1267 126.1482 56.1867 31.3083 179.6482 23 K 4.4852 8.3932 109.7081 53.5680 32.1683 172.2468 24 A 4.0198 7.9580 126.1686 52.3839 19.1555 177.2472 25 A 4.7991 8.0443 126.7565 52.1419 22.4568 175.8131 26 R 4.4681 8.8413 114.7633 56.9959 31.5902 170.3583 27 P 4.0687 0.0000 0.0000 63.8935 27.3870 176.0048 28 Q 4.2522 8.0991 125.7225 55.5861 27.6351 178.5915 29 K 4.4642 7.6910 126.0359 56.0646 34.6819 176.2993 30 L 4.5370 7.8704 115.0112 57.7996 45.4353 170.8221 31 R 4.4390 8.7524 111.5219 60.5182 30.1838 170.3240 32 A 3.0186 9.2224 122.1707 54.7587 19.5407 176.5248 33 S 3.2728 8.2059 117.1928 59.1163 64.3006 169.1336 34 L 4.2259 9.0730 124.4546 58.2086 39.2531 175.0142 35 V 4.5119 8.9431 114.0900 61.3516 33.7217 176.2199 36 P 4.9799 0.0000 0.0000 61.8692 33.6144 177.0001 37 G 4.1134 8.8609 104.4587 48.9991 0.0000 174.6493 38 T 4.0720 7.9405 112.2137 60.4595 69.0906 177.8945 39 V 3.8466 8.3235 124.1574 62.0629 30.1716 175.0334 40 L 4.6511 8.0353 128.7746 53.6307 42.5385 176.2723 41 I 4.4528 8.4023 126.6653 58.3690 38.9696 171.8789 42 L 4.0002 8.9218 132.9368 54.5586 40.6002 174.7447 43 L 4.0336 8.8473 124.8677 56.5765 41.2393 172.7290 44 A 4.0835 7.5055 126.8166 51.4409 17.5894 176.3680 45 G 4.2349 8.0822 110.1612 45.4929 0.0000 171.4426 46 R 4.5196 8.3247 120.1436 56.7221 30.4693 177.5062 *47 F 4.0049 8.4309 116.5976 56.4914 37.6152 177.1356 48 R 3.9287 8.4990 117.9637 57.9761 28.9268 176.8099 49 G 4.4821 8.3701 126.9204 45.9138 0.0000 171.9466 50 K 4.1195 8.1144 133.9469 56.9550 36.6811 173.1626 51 R 4.2628 8.6732 116.2520 57.9074 28.6622 172.8813 52 V 4.5076 9.2632 125.6801 63.6569 33.7932 175.0293 53 V 3.1592 7.0312 121.4663 61.7404 27.5202 169.3628 *54 Y 4.6245 7.7796 127.6275 55.8038 38.3004 176.3010 55 L 4.4942 7.7998 125.2798 53.2237 44.0696 172.9075 56 K 4.0548 7.6291 125.7693 55.9610 31.4956 179.5343 *57 H 4.5414 8.7763 122.2569 54.7192 27.7072 174.4778 58 L 3.9569 7.1067 120.0476 59.0957 42.0150 184.3948 59 E 4.7576 7.1722 116.7304 56.0234 31.1810 181.7186 60 D 4.3146 9.3254 119.9113 57.2709 41.7644 176.9921 61 N 5.5023 9.9198 123.9650 53.3611 36.1688 172.4755 62 T 4.8998 7.5601 112.7916 62.2709 68.7450 178.3264 63 L 5.1396 8.2601 128.7538 54.3460 44.6494 179.1919 64 L 5.0197 8.3045 121.7283 54.5760 45.4133 176.7492 65 I 4.8946 8.7583 121.1838 61.8149 38.8803 176.2948 66 S 4.7062 7.6674 114.9593 61.8170 66.8066 174.9365 67 G 4.0636 8.0227 106.8622 47.4784 0.0000 171.6658 68 P 5.4502 0.0000 0.0000 60.7933 32.5282 178.8708 *69 F 4.0392 8.2201 120.3211 60.7845 38.1022 175.8902 70 K 3.9853 8.0230 122.4797 55.1675 31.6121 177.9112 71 V 4.5872 7.7178 124.6127 60.4230 34.0173 169.9429 72 N 5.0806 8.4358 117.5232 52.2283 39.8563 177.7341 73 G 4.3345 8.6026 112.5212 45.9787 0.0000 174.1487 74 V 3.3532 8.2708 117.9731 61.6931 29.3593 178.0739 75 P 4.6057 0.0000 0.0000 65.2286 32.1225 177.8274 76 L 4.9490 7.7979 109.1483 57.2171 42.1095 170.5168 77 R 4.3387 7.6917 127.8210 57.4673 31.9956 178.3885 78 R 4.9146 7.8538 119.9997 58.1277 33.2515 174.6282 79 V 4.2231 8.3804 116.3246 64.3406 36.4018 169.5885 80 N 4.6140 8.2640 111.1875 55.1544 40.2690 172.2052 81 A 4.7622 7.1944 125.6653 51.8828 26.3000 176.4909 82 R 4.9253 7.7571 117.9488 54.4832 31.1040 177.2706 *83 Y 4.8355 7.6528 126.9600 57.6840 40.3856 180.8910 84 V 4.3019 8.9855 118.9323 61.2073 31.7774 177.0116 85 I 4.6405 7.2004 130.4543 59.1596 40.8844 179.9870 86 A 4.4679 6.7721 128.9305 54.7812 18.2133 178.9963 87 T 4.5512 8.4629 109.7775 61.1810 69.9673 170.9292 88 S 4.8256 8.0238 120.3693 58.4255 63.9482 179.5825 89 T 4.3964 8.5106 119.2581 61.7795 70.1071 173.2420 90 K 4.4459 7.1104 124.7546 56.5524 36.1193 183.2182 91 V 4.6702 7.9321 115.2986 60.8650 33.0803 174.3714 92 S 4.5608 8.3830 123.4303 59.6228 61.6302 182.7596 93 V 3.1984 7.9764 113.4762 65.0473 32.8015 175.9411 94 E 4.2244 9.3179 122.8055 60.5124 29.7586 181.3368 95 G 3.7490 7.8729 107.5951 47.4713 0.0000 177.0982 96 V 3.8481 7.6306 123.4990 66.1083 31.7496 182.5580 97 N 4.6741 10.2383 120.7381 59.3055 37.4301 183.0861 98 V 3.6802 7.5455 122.1834 65.7954 32.0879 181.1792 99 E 3.3991 8.9853 113.2385 60.2403 30.1529 182.3583 100 K 4.3259 5.9976 125.5233 60.7816 33.1311 180.7916 *101 F 4.8956 7.9078 122.9138 58.0430 37.8531 178.7361 102 N 5.1248 9.8654 115.6434 52.4977 39.5435 178.6872 103 V 4.4960 8.3050 117.3650 60.6042 32.4221 178.9617 104 E 4.5523 7.8254 122.2377 56.5314 30.0016 178.4026 *105 Y 4.6641 7.2616 115.7327 57.5006 37.9434 178.2687 *106 F 4.6712 8.1818 117.4501 57.1328 41.4366 175.5293 107 A 3.5864 8.5961 123.3501 54.4513 14.6539 178.1386 108 K 4.8099 8.6700 127.2864 54.9597 34.8479 178.6716 109 E 5.9800 9.3480 123.6441 58.4163 29.1349 173.4173 110 K 4.5366 6.6979 130.3338 55.5176 31.6515 177.3101 111 L 4.6668 8.3829 127.8036 54.0266 44.7338 178.4819 112 T 4.3791 7.8605 111.0071 61.6983 71.9541 176.7796 113 K 4.2700 9.1741 129.2293 54.2683 31.9770 176.4467 114 K 5.1180 7.7724 121.2721 54.9080 32.6415 175.6259 115 E 3.9003 9.2870 117.6763 62.1973 29.4369 181.4200 116 K 4.3666 7.2457 121.4815 56.2923 29.2302 178.5135 117 K 4.2771 7.8725 127.5565 54.1937 30.5913 176.8959 118 E 3.5371 8.5311 118.3551 56.8669 29.7720 177.0165 119 A 3.5691 8.5824 129.3218 53.0061 18.2543 174.0749 120 N 5.0752 8.7088 113.7505 53.5275 40.2423 171.4902 121 L 4.2718 8.8119 115.6483 56.2790 40.3142 172.4656 *122 F 4.7184 8.3332 116.1688 56.7311 36.8162 177.0718 123 P 4.2297 0.0000 0.0000 66.1517 30.9062 183.4598 124 E 4.3298 8.2208 118.6652 57.2314 32.6000 179.9404 125 Q 3.9140 9.1255 119.6475 59.2781 28.6290 172.3169 126 Q 4.6579 7.4477 118.1803 54.9494 27.4179 181.7095 127 N 5.1299 9.0849 114.9428 53.0052 36.3118 176.2006 128 K 4.5686 7.7818 122.3933 56.7513 37.8949 178.9002 129 E 4.1494 7.4339 116.2684 59.0173 30.1651 184.2076 130 I 4.2386 7.4435 120.4213 59.9249 37.2458 179.4199 131 K 4.3156 7.9451 118.8861 56.6833 31.9740 175.6917 132 A 3.7569 7.8935 130.7180 53.1879 15.9695 178.0721 133 E 4.0351 8.0627 130.2459 61.4781 30.2365 181.0898 134 R 4.0674 8.2556 122.7288 61.1190 29.1535 181.2439 135 V 3.9002 9.2294 119.6260 66.7512 31.6757 183.8356 136 E 4.6463 8.9687 119.5889 61.4439 30.0157 183.8273 137 D 4.7310 7.3446 116.0957 54.9607 40.0010 179.3137 138 Q 4.4271 9.0066 121.7210 58.5080 29.4086 182.7095 139 K 3.9376 8.5688 121.3741 58.9852 31.5657 181.2177 140 V 3.5083 7.4773 117.2567 64.0472 32.0410 179.4531 141 V 3.9976 7.5208 124.1049 60.4851 31.4424 178.7377 142 D 4.4348 8.9271 127.5805 55.5502 40.3731 176.2366 143 K 4.0136 8.5820 124.5150 54.2874 30.7018 175.9614 144 A 3.6301 10.0831 126.4800 51.7320 18.4522 177.8700 145 L 3.8033 9.2605 122.0817 57.8027 41.2999 179.2878 146 I 3.2290 8.3807 109.7799 61.5357 39.3578 180.1809 147 A 3.6345 7.6771 123.7113 55.0071 19.9191 180.2496 148 E 4.6185 8.9648 127.5279 57.6491 28.7173 175.8120 149 I 4.5077 8.4197 123.1338 61.5812 39.8039 174.7981 150 K 4.4899 8.2642 131.6973 53.5119 29.9631 180.6874 151 K 3.9404 8.6691 122.9554 58.5425 32.5003 182.9645 152 T 3.8156 8.5561 112.6894 64.7852 69.0393 179.9491 153 P 4.2720 0.0000 0.0000 65.5552 30.6649 180.0392 154 L 4.7115 8.2717 119.2172 53.8197 41.3853 178.9002 155 L 4.5415 9.8534 125.1966 56.0242 49.8100 180.5126 156 K 3.9800 8.9171 126.5129 57.5124 32.9436 181.8087 157 Q 4.2952 8.4328 118.6333 60.0920 27.8025 185.0000 *158 Y 4.5561 8.0638 116.9724 57.0579 36.2514 179.0336 159 L 4.7234 9.2257 124.3244 55.7221 45.5709 181.7782 160 S 4.2498 7.6410 115.8325 62.1699 62.1732 179.0629 161 A 4.4997 7.7891 124.8586 56.5870 19.1221 180.1847 162 S 4.7194 9.3197 121.5697 63.1588 62.1173 179.1242 *163 F 3.8839 7.6463 119.2780 60.7354 38.2130 182.4218 164 S 4.5418 7.8997 118.6044 58.6878 63.2603 177.7993 165 L 4.3635 8.5660 123.1943 54.3693 39.0132 184.2676 166 K 4.1794 9.0330 128.8609 58.7513 33.8499 178.7892 167 N 4.0153 7.2923 108.1980 49.8477 40.4384 178.6660 168 G 3.8996 9.4127 105.5520 49.5191 0.0000 173.7855 169 D 4.9215 7.5797 122.1410 56.0383 40.2108 180.5698 170 K 4.8605 8.4789 129.9472 58.3315 33.3528 179.1286 171 P 4.7134 0.0000 0.0000 64.3230 30.7629 177.7274 *172 H 4.4692 8.8609 126.5554 54.0321 23.5713 177.2285 173 M 4.3571 10.6600 126.9111 57.8146 32.0251 176.6223 174 L 4.0774 7.6148 131.2811 53.7182 41.4128 171.0730 175 K 4.7680 7.4342 131.5872 54.9967 33.9420 178.6608 *176 F 4.2906 8.5905 115.4343 59.4898 38.8312 170.8962 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 M 8.40 4.50 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 S 8.23 4.84 0.00 3.65 3.63 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 3 A 8.78 4.35 1.21 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 0.00 0.00 0.00 4 Q 7.76 2.76 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.74 0.00 0.00 0.00 0.00 0.00 2.24 1.95 0.00 5 K 7.22 4.26 0.00 1.70 1.59 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.16 0.89 7.81 6 A 8.31 4.72 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 7 P 0.00 4.53 0.00 2.06 1.51 0.00 3.79 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 1.68 1.39 0.00 8 K 10.78 3.83 0.00 1.95 1.88 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 0.98 7.81 *9 W 7.25 4.50 0.00 2.44 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 0.00 0.00 0.00 0.00 *10 Y 9.45 4.08 0.00 2.40 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 11 P 0.00 4.37 0.00 2.22 2.19 0.00 3.67 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 1.79 1.55 0.00 12 S 8.22 4.55 0.00 3.56 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 E 9.87 3.51 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 2.16 1.85 0.00 14 D 8.66 4.40 0.00 2.62 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 15 V 8.46 3.46 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 0.85 0.00 0.00 0.93 0.00 0.00 16 A 7.56 4.53 1.15 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 0.00 0.00 17 A 8.89 3.78 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 18 L 8.04 4.29 0.00 1.62 1.51 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.49 4.32 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 0.98 7.81 20 K 7.74 4.70 0.00 1.75 1.00 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 0.98 7.81 21 T 8.12 5.33 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 22 R 7.13 4.62 0.00 1.66 1.60 0.00 3.15 0.00 0.00 3.37 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 23 K 8.39 4.49 0.00 1.72 1.61 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.24 0.96 7.81 24 A 7.96 4.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.04 4.80 1.26 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 0.00 0.00 26 R 8.84 4.47 0.00 1.78 1.73 0.00 3.41 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.00 27 P 0.00 4.07 0.00 2.16 1.90 0.00 3.74 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 1.86 1.56 0.00 28 Q 8.10 4.25 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.90 0.00 0.00 0.00 0.00 0.00 2.29 1.96 0.00 29 K 7.69 4.46 0.00 1.77 1.67 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.00 7.81 30 L 7.87 4.54 0.00 1.60 1.45 0.92 0.65 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 31 R 8.75 4.44 0.00 1.76 1.75 0.00 3.27 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 32 A 9.22 3.02 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 33 S 8.21 3.27 0.00 3.72 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 34 L 9.07 4.23 0.00 1.66 1.33 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.94 4.51 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 0.91 0.00 0.00 0.93 0.00 0.00 36 P 0.00 4.98 0.00 2.06 1.87 0.00 3.86 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 1.84 1.55 0.00 37 G 8.86 4.11 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 0.00 0.00 0.00 38 T 7.94 4.07 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 39 V 8.32 3.85 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 0.86 0.00 0.00 0.93 0.00 0.00 40 L 8.04 4.65 0.00 1.42 1.48 0.92 0.81 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 41 I 8.40 4.45 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 1.13 0.91 0.00 0.00 42 L 8.92 4.00 0.00 1.42 1.57 0.92 0.95 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 43 L 8.85 4.03 0.00 1.66 1.60 0.92 0.81 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 44 A 7.51 4.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.08 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 46 R 8.32 4.52 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 0.00 55 L 7.80 4.49 0.00 1.61 1.44 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.63 4.05 0.00 1.67 1.78 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.01 7.81 *57 H 8.78 4.54 0.00 2.92 2.98 0.00 7.20 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.11 3.96 0.00 1.64 1.44 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.17 4.76 0.00 1.93 1.12 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 2.15 2.10 0.00 60 D 9.33 4.31 0.00 2.63 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 61 N 9.92 5.50 0.00 2.84 3.09 0.00 0.00 6.66 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 62 T 7.56 4.90 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 63 L 8.26 5.14 0.00 1.35 1.53 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.30 5.02 0.00 1.27 1.48 0.92 0.75 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 65 I 8.76 4.89 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 1.23 0.91 0.00 0.00 66 S 7.67 4.71 0.00 3.61 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 67 G 8.02 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 0.00 0.00 0.00 68 P 0.00 5.45 0.00 2.21 1.97 0.00 3.76 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 1.72 1.31 0.00 *69 F 8.22 4.04 0.00 2.29 2.24 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 70 K 8.02 3.99 0.00 1.85 1.94 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.16 0.79 7.81 71 V 7.72 4.59 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 0.78 0.00 0.00 0.93 0.00 0.00 72 N 8.44 5.08 0.00 2.67 2.68 0.00 0.00 6.70 7.51 0.00 0.00 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 G 8.60 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 0.00 0.00 0.00 0.00 74 V 8.27 3.35 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 0.70 0.00 0.00 0.93 0.00 0.00 75 P 0.00 4.61 0.00 1.99 2.01 0.00 3.73 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 1.58 0.00 76 L 7.80 4.95 0.00 1.36 1.44 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.69 4.34 0.00 1.50 1.85 0.00 3.17 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 78 R 7.85 4.91 0.00 1.56 1.75 0.00 3.27 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 79 V 8.38 4.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.21 0.00 0.00 88 S 8.02 4.83 0.00 3.61 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 89 T 8.51 4.40 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 90 K 7.11 4.45 0.00 1.74 0.74 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.10 0.79 7.81 91 V 7.93 4.67 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 0.70 0.00 0.00 0.93 0.00 0.00 92 S 8.38 4.56 0.00 3.64 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.20 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 0.65 0.00 0.00 0.93 0.00 0.00 94 E 9.32 4.22 0.00 1.87 1.99 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 2.24 2.19 0.00 95 G 7.87 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 0.00 0.00 0.00 96 V 7.63 3.85 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0.00 0.00 0.00 121 L 8.81 4.27 0.00 1.71 1.92 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 *122 F 8.33 4.72 0.00 2.29 2.20 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 0.00 123 P 0.00 4.23 0.00 2.08 1.80 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 1.94 1.59 0.00 124 E 8.22 4.33 0.00 1.89 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 2.31 1.87 0.00 125 Q 9.13 3.91 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 7.02 0.00 0.00 0.00 0.00 0.00 2.17 1.90 0.00 126 Q 7.45 4.66 0.00 1.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.23 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 127 N 9.08 5.13 0.00 2.73 2.73 0.00 0.00 6.22 7.44 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 0.00 128 K 7.78 4.57 0.00 1.72 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 0.97 7.81 129 E 7.43 4.15 0.00 2.02 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 2.26 2.12 0.00 130 I 7.44 4.24 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 1.10 0.91 0.00 0.00 131 K 7.95 4.32 0.00 1.72 1.60 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 0.96 7.81 132 A 7.89 3.76 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 0.00 133 E 8.06 4.04 0.00 1.98 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 0.00 2.33 1.99 0.00 134 R 8.26 4.07 0.00 1.81 1.98 0.00 3.23 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 135 V 9.23 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 0.90 0.00 0.00 0.93 0.00 0.00 136 E 8.97 4.65 0.00 1.90 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 2.19 2.18 0.00 137 D 7.34 4.73 0.00 2.82 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 0.00 138 Q 9.01 4.43 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.66 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 139 K 8.57 3.94 0.00 1.76 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.05 7.81 140 V 7.48 3.51 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 0.85 0.00 0.00 0.93 0.00 0.00 141 V 7.52 4.00 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 0.83 0.00 0.00 0.93 0.00 0.00 142 D 8.93 4.43 0.00 2.60 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 0.00 143 K 8.58 4.01 0.00 1.93 1.84 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.99 7.81 144 A 10.08 3.63 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 0.00 145 L 9.26 3.80 0.00 1.67 1.64 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.38 3.23 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 1.35 0.47 0.91 0.00 0.00 147 A 7.68 3.63 1.10 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 0.00 0.00 148 E 8.96 4.62 0.00 1.99 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 0.00 2.17 1.86 0.00 149 I 8.42 4.51 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 1.14 0.91 0.00 0.00 150 K 8.26 4.49 0.00 1.72 2.13 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.28 0.91 7.81 151 K 8.67 3.94 0.00 1.80 1.89 0.00 1.81 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 1.39 1.31 7.81 152 T 8.56 3.82 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 0.00 153 P 0.00 4.27 0.00 2.08 2.03 0.00 3.70 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 1.95 1.64 0.00 154 L 8.27 4.71 0.00 1.60 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 155 L 9.85 4.54 0.00 1.53 1.39 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.92 3.98 0.00 1.67 1.86 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.03 7.81 157 Q 8.43 4.30 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.18 0.00 0.00 0.00 0.00 0.00 2.37 1.96 0.00 *158 Y 8.06 4.56 0.00 2.31 2.20 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 0.00 159 L 9.23 4.72 0.00 1.38 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 160 S 7.64 4.25 0.00 3.65 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 7.79 4.50 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 0.00 162 S 9.32 4.72 0.00 3.67 3.88 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 *163 F 7.65 3.88 0.00 2.30 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 0.00 0.00 0.00 0.00 164 S 7.90 4.54 0.00 3.62 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 0.00 165 L 8.57 4.36 0.00 1.51 1.62 0.92 0.59 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 0.00 166 K 9.03 4.18 0.00 1.68 1.84 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.07 7.81 167 N 7.29 4.02 0.00 2.70 2.12 0.00 0.00 6.60 7.81 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 0.00 168 G 9.41 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 0.00 169 D 7.58 4.92 0.00 2.83 2.54 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 0.00 170 K 8.48 4.86 0.00 1.79 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.30 7.81 171 P 0.00 4.71 0.00 2.08 1.92 0.00 3.70 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 1.58 0.00 *172 H 8.86 4.47 0.00 3.00 2.79 0.00 7.15 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 M 10.66 4.36 0.00 2.02 1.92 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 2.44 2.08 0.00 174 L 7.61 4.08 0.00 1.75 1.72 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 7.43 4.77 0.00 1.72 1.45 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.23 0.95 7.81 *176 F 8.59 4.29 0.00 2.31 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.