NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 Q 4.2277 8.2033 119.6780 55.7005 30.5734 175.8087 19 M 3.4192 8.2935 121.9044 57.6058 31.9161 175.7039 20 E 3.9592 8.6803 120.1602 59.6249 30.3839 178.3049 21 T 3.9752 7.9555 115.3032 66.9988 68.5506 176.5936 22 S 4.2217 8.0548 116.5051 61.4083 62.8356 176.0229 23 Y 4.0494 8.1515 122.3982 60.7176 38.6475 178.1187 24 V 3.5364 7.9632 119.0956 66.3460 31.5588 177.9518 25 S 4.3024 8.3048 112.6428 61.1228 62.0981 175.8958 26 L 4.0667 8.1886 123.1308 58.0917 41.9670 178.5377 27 K 3.6798 8.3138 119.8962 60.2068 31.7779 178.7678 28 T 3.9611 8.2562 114.7535 66.0036 68.6014 176.5150 29 W 4.0912 7.9969 130.2190 60.3657 30.6208 177.9167 30 I 3.2500 8.0002 119.9638 64.6039 36.4459 178.3009 31 E 3.8728 7.9294 117.2640 58.8810 29.3028 178.3485 32 D 4.5670 7.3296 117.0101 54.0945 41.5642 176.7901 33 S 4.0624 6.9522 114.0770 57.3101 63.7491 173.9942 34 L 4.0205 8.2016 120.5572 54.7313 42.1911 178.4173 35 D 4.3306 8.6266 122.0705 57.4126 40.4252 178.9628 36 L 3.8614 7.5977 119.5962 57.3605 42.3442 177.8895 37 F 4.9504 7.9265 116.9268 58.3099 39.9008 177.6898 38 K 3.8662 7.5866 118.6612 59.3788 31.5812 178.0657 39 N 4.2798 8.1091 116.4393 56.7533 38.9382 175.4231 40 D 4.6575 7.9815 115.4464 56.0467 41.6899 177.9061 41 L 4.4931 7.7627 118.5935 56.5926 42.2370 178.6461 42 L 4.0717 8.2343 119.4185 57.2857 41.4585 177.5909 43 P 4.4379 0.0000 0.0000 65.3353 30.6738 178.2287 44 L 4.2041 8.0117 119.0903 58.0023 41.8765 178.8633 45 L 4.2507 8.2222 118.9575 57.3480 41.4962 178.7683 46 Y 3.9133 7.7446 118.8790 60.1061 38.8528 175.9178 47 P 4.0832 0.0000 0.0000 65.6447 31.2058 177.9125 48 L 4.0512 7.7123 119.2533 57.8203 42.0467 178.5414 49 F 4.2382 8.6654 120.7480 61.6251 39.3514 177.1283 50 I 2.9079 7.3875 119.0546 64.4425 36.6591 178.1925 51 H 4.1674 8.0300 116.8956 58.8130 28.4145 177.9813 52 I 3.5922 8.0221 121.8720 64.2965 36.9851 177.6492 53 Y 4.1208 7.7065 120.3017 61.0451 38.6380 178.4605 54 F 4.3475 8.6190 118.8268 60.6357 38.9099 177.4747 55 D 4.4453 8.1632 118.7836 57.1736 40.6560 178.7471 56 L 3.9527 8.0753 119.8015 57.6064 41.4811 179.6347 57 I 3.5877 7.4696 119.4737 64.3738 36.8092 178.2597 58 Q 3.9695 7.8101 119.1900 59.1062 28.9945 177.6181 59 Q 4.1197 7.8497 116.3396 55.8321 29.0130 175.4921 60 N 4.2407 8.2652 116.9105 54.8172 36.8994 175.3254 61 K 4.5487 8.0885 115.2524 55.2826 31.8809 177.5537 62 T 3.8351 7.6854 119.1612 66.7010 68.9194 176.0049 63 D 4.3250 7.9929 120.1260 57.6046 41.0248 178.3979 64 E 4.0414 8.2722 118.2121 59.4423 29.4803 179.2799 65 A 4.1442 8.3173 120.8965 55.2942 18.5008 179.9207 66 K 4.3485 8.3356 117.0741 59.6336 32.1807 179.5406 67 E 4.0742 8.4833 119.0638 59.3115 29.5071 179.2008 68 F 4.2462 8.5146 120.7130 61.2595 39.6385 176.6492 69 F 3.9503 8.6782 120.2675 61.7065 38.9497 176.9316 70 E 4.0706 8.3656 116.6908 59.1959 29.2946 179.2449 71 K 3.8541 7.6914 118.7123 59.0825 32.6770 177.7671 72 Y 4.5225 7.0333 114.3161 57.5058 37.9646 177.7666 73 R 3.2506 7.6033 118.1957 58.2877 29.6019 177.6727 74 G 3.8122 7.6472 105.5684 45.6550 0.0000 173.7996 75 D 4.4805 7.3993 119.0333 54.9714 41.2751 175.7054 76 H 4.3875 7.1312 112.1069 55.0843 30.6284 174.0703 *79 K 4.2968 8.2439 118.6109 55.7646 33.7688 178.0544 80 S 4.1598 7.9442 116.4333 61.4375 62.2876 176.0836 81 E 3.9162 8.1424 121.6593 59.5655 29.3748 179.0940 82 E 3.9123 8.0777 117.8182 59.0561 29.6444 178.9083 83 I 4.1716 7.9151 120.0951 64.7749 37.0840 178.3270 84 K 4.1370 8.0368 118.2235 59.0378 31.9025 178.6028 85 Q 3.9248 7.4665 117.5698 58.9486 28.4550 178.4424 86 F 4.6150 8.1919 118.4178 60.0482 38.7820 177.1689 87 E 3.5176 8.3549 119.5139 59.1607 29.3527 177.8290 88 S 3.9531 7.4137 109.7430 58.3333 63.4480 174.1988 89 I 4.0353 7.5663 123.5503 60.5834 36.2035 174.3080 90 Y 4.5744 8.3906 123.4340 58.2192 39.3588 176.1575 91 T 4.5783 7.3555 108.1783 59.0166 72.0559 175.0668 92 V 3.4855 8.1286 120.2899 66.1088 31.5086 177.4948 93 Q 3.9586 7.9707 118.8451 59.5952 28.3861 177.9508 94 H 4.4977 7.7975 117.2294 58.7062 28.4200 177.9102 95 I 3.5411 7.1472 120.8331 64.5443 36.9663 177.8556 96 H 4.2862 8.0354 115.9507 58.0692 28.5928 176.8155 97 E 4.4932 7.9270 117.0695 55.6930 30.3075 175.5654 98 N 4.8159 7.3011 117.7340 51.5302 39.7304 175.3483 99 N 4.4761 8.7058 122.2735 55.8283 38.5930 177.4093 100 F 4.5117 8.2687 115.9067 59.7973 38.1181 177.2849 101 A 4.4834 6.6380 120.8256 54.9404 18.4444 178.8391 102 Y 3.9099 8.1983 118.2120 61.2061 39.0757 178.1658 103 T 3.9718 8.6145 117.1739 66.7544 68.3522 176.3625 104 F 4.0745 8.1130 121.6714 61.2036 39.5361 176.8407 105 K 4.3611 8.2113 118.2099 58.5733 32.1394 177.5390 106 N 4.8213 7.8068 113.5092 52.0716 39.5431 174.0672 107 S 4.8115 7.3762 115.2995 56.1937 66.3884 173.1594 108 K 4.5954 8.3385 120.8961 55.9550 33.0590 175.9755 109 Y 4.3766 8.7723 126.7152 56.8340 40.3059 173.7072 110 H 5.2837 8.3117 123.7818 54.7418 30.3828 174.4686 111 L 5.1910 8.8526 122.0240 52.9299 46.2625 175.4440 112 S 5.3334 8.7164 114.7314 57.0842 65.7615 173.1960 113 M 4.9762 8.9557 121.0835 53.5589 36.7823 175.3339 114 G 4.1693 9.4827 111.2296 45.0882 0.0000 174.8788 115 R 3.8844 8.2722 120.0169 59.3085 29.8552 178.7692 116 Y 4.1671 7.5874 115.8607 61.0101 38.0431 177.4583 117 A 3.7618 8.2120 121.2096 55.2447 18.4362 178.9466 118 F 4.1835 8.2377 118.8354 61.7135 39.4481 176.7819 119 D 4.1628 8.2419 117.2225 57.3699 41.0682 177.9647 120 L 4.0602 8.2845 119.8554 58.0060 41.7219 179.4011 121 L 3.8843 8.2389 120.3144 58.2225 41.9728 179.0578 122 I 3.6511 7.5390 119.5945 63.8315 36.9984 177.8775 123 N 4.1892 8.0330 117.4702 56.3243 38.2799 177.0866 124 F 3.7707 7.9870 121.6833 61.2003 39.2570 177.1927 125 L 3.6019 7.4981 118.3923 57.7081 41.1268 179.4246 126 E 3.8404 8.3437 119.0076 59.1675 29.1628 178.8948 127 E 3.9321 8.1915 118.7243 57.9965 29.6822 177.9641 128 R 4.2353 6.9245 115.8089 54.2803 31.5632 175.7966 129 N 3.9902 7.2773 115.1661 54.1170 37.3473 176.7780 130 L 4.3397 7.7416 120.8108 53.7781 38.7251 177.4522 131 T 3.8374 7.6058 115.7436 65.2554 67.8347 174.3686 132 Y 4.0235 7.9451 121.1990 60.5636 38.9736 177.4854 133 I 3.7220 7.8133 120.4274 64.2220 37.2115 178.4168 134 L 3.9737 7.7780 119.5088 57.3159 41.3634 179.2851 135 K 3.8086 7.6611 119.6560 59.4970 32.1517 178.8117 136 I 3.5070 7.2270 119.9872 64.2742 37.0872 178.2114 137 L 3.9628 7.8354 119.5436 58.0270 41.3036 179.4428 138 N 4.3100 7.8324 114.5667 56.5588 38.6092 177.2190 139 Q 4.0890 8.0609 118.0969 58.0260 29.2175 176.4428 140 H 4.9564 8.7094 115.1588 55.0835 31.8029 173.9081 141 L 5.1309 7.7994 117.2849 52.9466 44.3050 176.3182 142 D 4.7222 9.4032 122.9789 52.4599 42.2893 173.0931 143 I 4.6091 8.0133 124.0922 59.3497 38.7631 175.0633 144 K 4.1064 8.8238 130.2362 55.6346 33.1263 175.9361 145 V 4.3684 8.0346 128.9248 61.5049 32.0281 174.6328 146 Y 4.1572 9.2365 131.5372 57.4301 39.7281 174.3009 147 V 4.0547 8.6407 126.3725 60.1513 34.0109 175.5367 148 G 3.3270 8.5530 114.9755 45.2139 0.0000 172.8661 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 18 Q 8.20 4.23 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 19 M 8.29 3.42 0.00 1.61 1.70 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.81 0.00 20 E 8.68 3.96 0.00 2.00 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 2.68 2.96 0.00 21 T 7.96 3.98 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 1.25 0.00 0.00 22 S 8.05 4.22 0.00 4.11 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 23 Y 8.15 4.05 0.00 3.20 3.21 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 24 V 7.96 3.54 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 0.94 0.00 0.00 1.19 0.00 0.00 25 S 8.30 4.30 0.00 4.04 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.19 4.07 0.00 2.00 1.89 1.06 0.59 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 27 K 8.31 3.68 0.00 1.43 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.38 7.81 28 T 8.26 3.96 4.32 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 1.26 0.00 0.00 29 W 8.00 4.09 0.00 2.95 2.80 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 0.00 0.00 0.00 30 I 8.00 3.25 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.92 0.86 0.00 0.00 31 E 7.93 3.87 0.00 1.90 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 2.47 0.00 32 D 7.33 4.57 0.00 2.72 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 33 S 6.95 4.06 0.00 3.73 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 34 L 8.20 4.02 0.00 1.60 1.32 0.84 0.90 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 35 D 8.63 4.33 0.00 2.58 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.60 3.86 0.00 1.25 0.83 0.82 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 37 F 7.93 4.95 0.00 3.01 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 38 K 7.59 3.87 0.00 1.87 1.79 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.39 7.81 39 N 8.11 4.28 0.00 2.73 2.88 0.00 0.00 7.00 8.47 0.00 0.00 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 D 7.98 4.66 0.00 3.03 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 41 L 7.76 4.49 0.00 1.73 1.80 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.23 4.07 0.00 1.77 1.75 0.91 1.26 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 43 P 0.00 4.44 0.00 2.30 2.27 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 44 L 8.01 4.20 0.00 1.91 1.97 1.01 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.22 4.25 0.00 1.90 1.87 0.82 0.21 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 46 Y 7.74 3.91 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.08 0.00 2.16 1.39 0.00 4.01 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 2.15 1.63 0.00 48 L 7.71 4.05 0.00 2.02 2.18 1.16 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.67 4.24 0.00 3.37 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 50 I 7.39 2.91 0.77 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.36 -1.26 0.00 0.00 51 H 8.03 4.17 0.00 3.46 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.02 3.59 1.60 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 -0.12 0.00 0.00 53 Y 7.71 4.12 0.00 2.88 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 54 F 8.62 4.35 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.16 4.45 0.00 2.96 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 56 L 8.08 3.95 0.00 1.70 1.63 0.72 0.84 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 57 I 7.47 3.59 1.83 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.33 0.76 0.00 0.00 58 Q 7.81 3.97 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 59 Q 7.85 4.12 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.46 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 60 N 8.27 4.24 0.00 2.82 2.91 0.00 0.00 6.79 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 61 K 8.09 4.55 0.00 1.81 1.71 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.33 7.81 62 T 7.69 3.84 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 63 D 7.99 4.33 0.00 2.69 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 64 E 8.27 4.04 0.00 2.15 2.04 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 2.43 2.40 0.00 65 A 8.32 4.14 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 66 K 8.34 4.35 0.00 2.07 2.03 0.00 1.67 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.78 1.88 7.81 67 E 8.48 4.07 0.00 2.28 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 2.40 2.64 0.00 68 F 8.51 4.25 0.00 3.28 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 69 F 8.68 3.95 0.00 3.23 3.27 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 70 E 8.37 4.07 0.00 2.10 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 2.82 2.59 0.00 71 K 7.69 3.85 0.00 1.60 1.28 0.00 1.20 0.00 0.00 1.28 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 1.01 7.81 72 Y 7.03 4.52 0.00 2.63 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 73 R 7.60 3.25 0.00 1.54 1.67 0.00 3.03 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 74 G 7.65 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.40 4.48 0.00 2.47 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 76 H 7.13 4.39 0.00 3.06 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 K 8.24 4.30 0.00 1.57 1.53 0.00 1.04 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 0.56 7.81 80 S 7.94 4.16 0.00 4.03 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 81 E 8.14 3.92 0.00 1.96 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 2.38 2.33 0.00 82 E 8.08 3.91 0.00 2.32 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 0.00 2.55 2.45 0.00 83 I 7.92 4.17 2.12 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.85 0.98 0.00 0.00 84 K 8.04 4.14 0.00 1.81 1.84 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.69 7.81 85 Q 7.47 3.92 0.00 1.62 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 1.83 1.98 0.00 86 F 8.19 4.61 0.00 3.54 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 87 E 8.35 3.52 0.00 2.14 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 2.40 2.43 0.00 88 S 7.41 3.95 0.00 3.78 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 89 I 7.57 4.04 2.25 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.83 0.00 0.00 90 Y 8.39 4.57 0.00 3.02 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 91 T 7.36 4.58 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 1.18 0.00 0.00 92 V 8.13 3.49 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 1.02 0.00 0.00 0.88 0.00 0.00 93 Q 7.97 3.96 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 94 H 7.80 4.50 0.00 3.29 3.23 0.00 5.69 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 95 I 7.15 3.54 1.82 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.22 0.56 0.00 0.00 96 H 8.04 4.29 0.00 3.23 3.32 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.93 4.49 0.00 2.14 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 2.48 2.32 0.00 98 N 7.30 4.82 0.00 2.55 2.29 0.00 0.00 6.85 6.80 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 99 N 8.71 4.48 0.00 2.84 2.97 0.00 0.00 6.84 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.27 4.51 0.00 3.38 3.39 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 0.00 101 A 6.64 4.48 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.20 3.91 0.00 3.16 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 0.00 103 T 8.61 3.97 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 104 F 8.11 4.07 0.00 3.57 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.21 4.36 0.00 2.17 1.86 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.66 7.81 106 N 7.81 4.82 0.00 2.49 2.63 0.00 0.00 6.81 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.38 4.81 0.00 4.05 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.34 4.60 0.00 1.61 1.64 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.41 7.81 109 Y 8.77 4.38 0.00 2.73 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 0.00 110 H 8.31 5.28 0.00 2.87 3.17 0.00 5.89 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.85 5.19 0.00 1.69 1.63 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.72 5.33 0.00 3.86 3.83 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 0.00 113 M 8.96 4.98 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.78 0.00 114 G 9.48 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.27 3.88 0.00 1.77 1.40 0.00 2.97 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 116 Y 7.59 4.17 0.00 3.19 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.21 3.76 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.24 4.18 0.00 3.23 3.31 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 0.00 119 D 8.24 4.16 0.00 3.00 2.80 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 0.00 0.00 0.00 120 L 8.28 4.06 0.00 1.83 2.04 0.32 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.24 3.88 0.00 1.98 1.91 1.02 1.19 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 0.00 122 I 7.54 3.65 1.53 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.26 0.72 0.00 0.00 123 N 8.03 4.19 0.00 2.94 2.86 0.00 0.00 6.62 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 7.99 3.77 0.00 2.07 2.28 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 0.00 125 L 7.50 3.60 0.00 1.60 1.55 0.86 0.92 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 0.00 126 E 8.34 3.84 0.00 1.95 1.89 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 2.23 2.28 0.00 127 E 8.19 3.93 0.00 1.90 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 0.00 2.22 2.27 0.00 128 R 6.92 4.24 0.00 1.21 1.57 0.00 2.85 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 0.00 129 N 7.28 3.99 0.00 2.68 2.75 0.00 0.00 6.89 7.62 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 0.00 130 L 7.74 4.34 0.00 1.54 1.59 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.61 3.84 4.22 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 0.00 0.00 0.00 1.24 0.00 0.00 132 Y 7.95 4.02 0.00 3.13 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 0.00 133 I 7.81 3.72 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.92 0.94 0.00 0.00 134 L 7.78 3.97 0.00 1.62 1.65 0.84 0.62 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 0.00 135 K 7.66 3.81 0.00 1.78 1.70 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.66 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.38 7.81 136 I 7.23 3.51 1.86 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.32 0.83 0.00 0.00 137 L 7.84 3.96 0.00 1.85 1.76 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 138 N 7.83 4.31 0.00 2.77 2.83 0.00 0.00 7.18 7.26 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 0.00 139 Q 8.06 4.09 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 140 H 8.71 4.96 0.00 3.02 3.18 0.00 5.57 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.80 5.13 0.00 1.74 1.63 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 142 D 9.40 4.72 0.00 2.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.01 4.61 1.88 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.91 0.00 0.00 144 K 8.82 4.11 0.00 1.85 1.71 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.37 7.81 145 V 8.03 4.37 1.71 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 0.54 0.00 0.00 -0.28 0.00 0.00 146 Y 9.24 4.16 0.00 3.11 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.64 4.05 1.78 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 0.67 0.00 0.00 0.80 0.00 0.00 148 G 8.55 3.33 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 * Residues marked with a * may have inaccurate shift predictions.