NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3390 8.2544 119.0725 56.5415 31.1894 174.2142 6 S 4.3001 7.9798 108.1768 58.2852 64.9545 172.3494 7 I 3.8527 8.7887 131.0468 60.9375 38.0985 174.8631 8 A 4.2366 8.4143 129.0686 51.3368 19.3839 176.8884 9 I 4.1321 8.0971 124.0282 60.1587 36.6916 175.3670 10 D 4.5168 8.6900 126.3994 56.6887 41.4976 176.6653 11 S 4.6880 7.5193 110.1264 57.1951 65.5445 172.8117 12 Y 4.7121 8.4171 122.7668 55.9684 40.9758 174.0254 13 Q 4.2062 8.3897 128.4786 54.2797 30.0144 174.4016 14 E 3.8077 8.1826 126.7401 58.0773 30.2757 176.5056 15 D 4.5740 7.5933 117.0745 52.7480 41.6991 174.2183 16 P 4.3117 0.0000 0.0000 63.2250 31.2570 175.3438 17 S 4.4268 7.9082 116.1570 58.1748 65.8995 174.4728 18 V 4.3120 7.3484 115.3870 58.6452 33.8692 175.5921 19 V 4.2354 7.8641 119.9560 61.0674 34.0947 174.8515 20 V 4.0700 8.3054 126.6380 61.2937 31.9130 174.6172 21 S 4.3388 8.2707 122.0796 56.5977 63.5760 172.7725 22 N 4.8566 8.1261 124.6289 52.0044 41.5504 173.3000 23 F 4.6263 8.9829 124.8777 57.2707 38.3315 178.4976 24 F 5.0990 8.3286 122.2650 55.1387 41.3317 174.3476 25 K 3.9241 8.7389 121.4064 58.2350 32.0537 177.5427 26 G 3.9640 9.0069 111.9029 45.2947 0.0000 173.5573 27 V 3.0806 6.7847 118.6298 61.5580 31.4147 175.9879 28 R 4.3525 8.2338 120.4956 54.4790 32.1855 174.9979 29 V 4.2176 8.0784 123.0683 59.8868 33.3018 173.5565 30 P 4.3604 0.0000 0.0000 62.3561 31.7549 177.4727 31 K 3.9879 8.7507 121.5569 60.0682 32.4260 177.9415 32 D 4.4423 8.0068 118.0620 56.6508 41.1028 176.8120 33 T 3.7166 7.6888 116.1554 64.0482 68.7135 173.0040 34 E 4.7085 8.4698 125.6917 54.5199 31.4762 175.3569 35 F 5.0502 8.7689 121.1623 55.7071 42.3424 174.5446 36 Q 4.6180 8.6233 120.5360 53.9549 32.0218 174.6874 37 L 4.7279 8.0402 122.0921 53.2998 44.2947 175.2022 38 Y 4.7153 8.4839 122.1320 55.9488 41.0184 174.6206 39 K 4.5698 8.5120 124.9865 54.0177 34.2668 175.5365 40 K 4.0377 8.4969 127.3157 56.0694 32.7046 176.5150 41 R 3.9656 8.5334 125.2116 56.1367 29.4464 176.3439 42 K 4.3778 8.2641 124.4337 54.0960 33.7150 175.3308 43 Q 4.2205 8.5165 127.8780 55.5789 29.7697 175.5717 44 D 4.4822 8.5918 124.4900 54.2938 41.6492 175.4866 45 Q 4.7667 8.0401 120.0485 54.2194 31.3189 175.1629 46 F 5.0461 8.9667 119.5303 55.7370 43.4357 174.1808 47 V 4.9280 8.5788 113.6954 59.5205 34.4881 174.7119 48 L 4.7933 9.3430 127.2880 53.4776 44.4937 174.3752 49 H 5.4156 9.0399 125.5944 54.3869 32.6102 172.6999 50 G 4.3271 9.3640 111.8524 44.5870 0.0000 171.1317 51 E 5.1894 8.6881 120.8150 54.7641 33.2440 174.9176 52 N 5.1134 8.9330 124.1524 52.4431 41.4021 173.3323 53 E 4.3153 8.8109 114.6235 58.5308 30.7182 177.3141 54 R 4.4158 8.0146 116.5290 57.1919 32.1907 176.5855 55 L 5.1512 7.8178 116.6285 52.7623 45.9369 175.2370 56 E 5.0422 8.8047 119.3819 54.8175 33.2012 174.7635 57 Y 5.1040 9.4041 121.9463 56.3226 41.0682 174.5787 58 D 5.2307 9.1771 123.7082 52.7853 45.2946 174.9090 59 G 4.7043 9.5630 109.6657 45.2845 0.0000 171.0608 60 E 5.5041 8.6895 117.6798 54.6569 33.5011 174.9061 61 T 4.7226 8.4399 111.1594 61.3959 70.5493 173.5795 62 D 4.6587 8.5248 122.2519 53.1098 42.1655 176.1895 63 E 3.9468 9.2119 127.7728 59.7164 29.7812 178.3674 64 L 4.1163 7.8931 119.3824 58.4512 42.2480 178.7468 65 T 3.9132 8.0539 115.2376 67.1111 68.2040 176.5741 66 T 4.1002 7.9317 116.3828 66.4404 68.4601 176.0404 67 K 4.2482 7.8200 119.2659 58.6464 32.5612 178.7348 68 T 4.2436 7.7472 114.4019 64.4465 69.2507 174.5863 69 N 5.0597 8.1427 115.7509 51.0937 42.4276 173.5466 70 Q 4.6639 8.2405 117.1439 54.6596 31.4913 174.5529 71 Y 4.7365 8.1954 117.6010 56.3065 41.9795 173.9244 *73 V 4.1822 8.1615 118.2882 63.3710 32.9137 175.0672 74 G 4.5970 8.8279 113.8559 44.3233 0.0000 171.9158 75 L 4.7612 8.9849 125.9932 53.4994 43.6627 174.1397 76 Y 5.1220 8.6409 127.7472 56.2454 40.6956 174.4151 77 D 4.4373 8.3898 126.7218 52.4280 41.9318 176.5887 78 K 3.5421 8.5453 126.1796 59.7699 32.2724 178.8099 79 Q 4.0652 7.9511 115.6857 59.0592 28.7727 178.0439 80 S 4.1453 8.3730 111.3048 58.9888 63.4129 174.3802 81 G 3.8724 7.9706 109.1258 46.7385 0.0000 173.2873 82 K 4.7880 7.7087 117.2294 54.0841 35.7102 175.2862 83 I 5.1551 8.4421 122.5971 59.3336 41.4185 174.1965 84 N 4.9225 9.1060 125.2996 51.6425 40.7635 173.5532 85 L 5.1215 8.2761 123.8779 53.6320 43.8271 176.1821 86 Y 4.5870 8.5977 119.7687 56.2230 41.4142 175.1565 87 R 4.4088 8.8622 125.5667 56.4181 30.9258 175.5128 88 A 4.8397 8.7906 127.3010 49.4339 22.2744 174.2289 89 P 4.3107 0.0000 0.0000 62.4947 32.2462 175.9928 90 V 4.0315 8.0458 119.9730 61.2846 33.0138 174.5806 91 V 4.5774 8.2429 128.6060 61.3689 33.1732 174.7480 92 T 4.4516 8.6171 118.9021 60.8462 70.2493 174.1861 93 S 5.1390 8.6863 121.4528 56.5332 67.0726 172.9162 94 K 4.7236 9.0897 120.2547 54.7574 35.8134 175.3105 95 I 4.7495 8.2850 123.3547 59.5159 39.4370 175.2298 96 V 4.4008 8.2993 126.0309 60.9236 34.6604 175.2015 97 S 4.5356 8.7362 123.1640 58.5432 63.9205 174.3445 98 K 4.2317 8.1951 120.2752 56.6468 31.6278 176.6956 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 5 R 8.25 4.34 0.00 1.85 1.82 0.00 3.27 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 6 S 7.98 4.30 0.00 3.85 3.72 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 7 I 8.79 3.85 1.86 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 1.34 0.91 0.91 0.00 0.00 8 A 8.41 4.24 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 9 I 8.10 4.13 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 0.93 0.00 0.00 10 D 8.69 4.52 0.00 2.63 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 11 S 7.52 4.69 0.00 3.99 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 12 Y 8.42 4.71 0.00 2.79 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.39 4.21 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 14 E 8.18 3.81 0.00 1.68 1.82 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 2.23 2.21 0.00 15 D 7.59 4.57 0.00 2.65 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 16 P 0.00 4.31 0.00 2.00 1.96 0.00 3.59 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 2.00 2.06 0.00 17 S 7.91 4.43 0.00 3.87 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 18 V 7.35 4.31 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 0.69 0.00 0.00 0.91 0.00 0.00 19 V 7.86 4.24 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 0.71 0.00 0.00 0.88 0.00 0.00 20 V 8.31 4.07 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 0.80 0.00 0.00 0.90 0.00 0.00 21 S 8.27 4.34 0.00 3.62 3.57 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 0.00 0.00 0.00 0.00 22 N 8.13 4.86 0.00 2.57 2.56 0.00 0.00 6.95 7.02 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 23 F 8.98 4.63 0.00 2.70 2.21 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 F 8.33 5.10 0.00 3.25 3.16 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 25 K 8.74 3.92 0.00 1.87 1.87 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.51 7.81 26 G 9.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 6.78 3.08 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 0.00 0.00 0.48 0.00 0.00 0.07 0.00 0.00 28 R 8.23 4.35 0.00 1.76 1.84 0.00 3.17 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 29 V 8.08 4.22 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 1.00 0.00 0.00 0.62 0.00 0.00 30 P 0.00 4.36 0.00 2.20 1.95 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 31 K 8.75 3.99 0.00 1.87 1.98 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.49 7.81 32 D 8.01 4.44 0.00 2.68 2.76 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 33 T 7.69 3.72 4.28 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 0.68 0.00 0.00 34 E 8.47 4.71 0.00 1.89 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 2.29 2.33 0.00 35 F 8.77 5.05 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.62 4.62 0.00 2.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 37 L 8.04 4.73 0.00 1.49 1.41 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.48 4.72 0.00 2.94 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 39 K 8.51 4.57 0.00 1.70 1.70 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.40 7.81 40 K 8.50 4.04 0.00 1.77 1.71 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 R 8.53 3.97 0.00 1.86 1.92 0.00 3.22 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 42 K 8.26 4.38 0.00 1.66 1.68 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.39 7.81 43 Q 8.52 4.22 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 44 D 8.59 4.48 0.00 2.69 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 0.00 0.00 0.00 45 Q 8.04 4.77 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 46 F 8.97 5.05 0.00 2.89 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 47 V 8.58 4.93 2.13 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 0.73 0.00 0.00 0.97 0.00 0.00 48 L 9.34 4.79 0.00 1.72 1.52 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 49 H 9.04 5.42 0.00 3.16 3.18 0.00 5.92 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 50 G 9.36 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 51 E 8.69 5.19 0.00 1.84 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 2.25 2.33 0.00 52 N 8.93 5.11 0.00 3.01 3.00 0.00 0.00 7.22 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 53 E 8.81 4.32 0.00 1.99 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 2.28 2.40 0.00 54 R 8.01 4.42 0.00 1.77 1.94 0.00 3.07 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 55 L 7.82 5.15 0.00 1.29 1.10 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.80 5.04 0.00 1.91 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 2.23 2.23 0.00 57 Y 9.40 5.10 0.00 2.74 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 58 D 9.18 5.23 0.00 2.59 2.55 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 0.00 59 G 9.56 4.70 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 0.00 0.00 0.00 60 E 8.69 5.50 0.00 1.99 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 2.21 2.28 0.00 61 T 8.44 4.72 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 62 D 8.52 4.66 0.00 2.81 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 63 E 9.21 3.95 0.00 2.01 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 2.32 2.41 0.00 64 L 7.89 4.12 0.00 1.81 1.82 0.93 0.83 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 65 T 8.05 3.91 4.48 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 1.42 0.00 0.00 66 T 7.93 4.10 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 67 K 7.82 4.25 0.00 1.93 1.86 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 68 T 7.75 4.24 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 1.19 0.00 0.00 69 N 8.14 5.06 0.00 2.36 2.28 0.00 0.00 6.86 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 70 Q 8.24 4.66 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 71 Y 8.20 4.74 0.00 3.10 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *73 V 8.16 4.18 2.13 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 0.95 0.00 0.00 0.94 0.00 0.00 74 G 8.83 4.60 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 0.00 0.00 0.00 75 L 8.98 4.76 0.00 1.93 1.68 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.64 5.12 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.39 4.44 0.00 2.60 2.32 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 78 K 8.55 3.54 0.00 1.70 1.87 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.51 7.81 79 Q 7.95 4.07 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.12 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 80 S 8.37 4.15 0.00 3.93 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 81 G 7.97 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 0.00 0.00 0.00 82 K 7.71 4.79 0.00 1.65 1.68 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.53 7.81 83 I 8.44 5.16 2.07 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 1.42 1.23 0.96 0.00 0.00 84 N 9.11 4.92 0.00 2.91 2.71 0.00 0.00 6.95 6.25 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 85 L 8.28 5.12 0.00 1.43 1.55 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.60 4.59 0.00 2.91 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 87 R 8.86 4.41 0.00 1.87 1.89 0.00 3.23 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 88 A 8.79 4.84 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.31 0.00 1.95 1.76 0.00 3.46 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.47 0.00 90 V 8.05 4.03 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 0.51 0.00 0.00 0.06 0.00 0.00 91 V 8.24 4.58 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 92 T 8.62 4.45 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 1.20 0.00 0.00 93 S 8.69 5.14 0.00 3.81 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 94 K 9.09 4.72 0.00 1.63 1.64 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 95 I 8.28 4.75 1.76 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.48 0.00 0.00 96 V 8.30 4.40 2.02 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 1.02 0.00 0.00 0.89 0.00 0.00 97 S 8.74 4.54 0.00 3.76 3.74 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 98 K 8.20 4.23 0.00 1.76 1.70 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.