NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2196 8.3645 123.5820 51.9496 19.9013 176.5962 2 E 4.3598 8.6223 116.8379 54.6338 30.7826 175.8464 3 C 5.4897 8.4676 122.1941 55.3210 43.0790 173.1335 4 S 3.9647 7.6512 112.0629 56.8759 66.0271 173.1199 5 V 4.4483 8.0245 118.5855 60.3079 34.9030 173.3635 6 D 5.1923 8.5124 122.4453 52.8937 42.4781 175.6454 7 I 4.7807 8.6807 122.9486 59.2810 42.0499 173.7245 8 Q 5.2166 9.6743 126.7327 54.0687 32.3077 174.6682 9 G 4.4824 9.1908 109.9714 44.5489 0.0000 171.8481 10 N 5.7612 8.3023 122.6649 50.2296 40.4622 174.7881 11 D 4.5546 8.8853 116.9318 56.7406 41.0824 177.0184 12 Q 4.3230 8.2466 117.8119 55.2777 28.8285 175.2165 13 M 3.0618 7.7219 116.0745 56.0496 31.0815 176.5621 14 Q 4.4593 7.4307 113.7093 54.4009 32.0987 174.3949 15 F 5.7141 8.7174 118.4395 56.9213 39.9189 175.0948 16 N 4.8887 8.8270 118.5901 53.0575 37.5165 174.5189 17 T 4.7347 7.7306 111.6846 61.5142 70.3832 172.4473 18 N 5.2281 8.8402 121.4441 52.4568 38.9262 173.5391 19 A 5.2020 8.3303 120.6140 51.5183 22.7549 176.3017 20 I 4.6415 9.4374 124.0568 59.7813 40.5963 174.7215 21 T 5.0484 8.5965 122.2974 61.8177 70.8288 173.8486 22 V 3.8984 8.5107 126.6283 60.5896 33.4635 174.6553 23 D 4.8126 8.7483 128.0279 54.2367 41.6402 177.2627 24 K 4.0351 8.7705 126.1205 58.9240 32.1721 178.3059 25 S 4.3793 8.3960 112.5905 59.7029 63.5725 174.1732 26 C 4.4784 8.0711 119.8412 57.1754 41.5248 173.4516 27 K 4.3327 8.6233 122.1291 56.7257 33.7567 175.9543 28 Q 4.9509 7.9236 116.2290 54.2172 32.0117 174.4985 29 F 4.7788 8.5012 121.9115 56.7394 43.3260 173.2421 30 T 4.7215 7.4405 121.7006 61.5416 71.6688 172.9666 31 V 4.2216 8.4507 126.4599 61.0907 33.7785 174.0852 32 N 4.9683 8.7883 126.5617 51.5853 39.9578 173.2470 33 L 4.9861 8.6613 127.5009 53.9036 44.0490 175.5276 34 S 5.1870 9.0680 119.4869 57.2108 67.6283 172.5814 35 H 5.9671 8.4500 118.6225 52.4059 30.1828 170.7097 36 P 4.5466 0.0000 0.0000 62.7384 32.8080 175.5736 37 G 4.3866 9.5747 105.6256 44.7420 0.0000 173.2603 38 N 4.9663 9.2276 114.6873 52.5256 41.8932 174.3871 39 L 4.3376 8.4773 120.4481 53.0263 42.7089 175.1529 40 P 4.9056 0.0000 0.0000 61.5240 32.4737 177.2565 41 K 4.0432 8.4209 117.5722 59.5441 32.5260 177.5664 42 N 4.6259 8.1232 114.6840 53.4848 37.8800 174.9000 43 V 4.1677 7.6613 116.8015 64.4903 33.6397 176.0179 44 M 4.8509 8.1320 116.4981 54.2343 32.1337 175.0284 45 G 3.9906 7.8597 105.9842 46.6184 0.0000 173.1986 46 H 5.4514 9.2902 119.0004 53.8176 32.9532 172.3184 47 N 5.5694 8.7518 117.0817 51.0363 41.6214 172.1424 48 W 5.5269 9.0743 127.5444 55.8896 33.9879 174.2880 49 V 4.5186 7.9342 126.2079 60.6999 34.7118 173.6183 50 L 4.8964 8.1656 128.6382 53.1576 44.8794 175.3358 51 S 5.2203 8.9377 119.7206 56.8825 67.2111 173.4747 52 T 4.2765 8.5687 109.6754 61.1981 69.3342 174.8018 53 A 4.0402 8.7956 125.1721 55.5087 18.1001 180.2497 54 A 3.9469 7.8474 117.4224 54.8022 18.7746 178.5519 55 D 4.5456 7.8195 115.6636 55.2809 41.2061 178.2695 56 M 3.7715 7.6466 119.5447 58.8823 32.1760 178.0597 57 Q 3.9249 7.9385 117.5398 58.8898 28.9047 179.0107 58 G 3.6104 7.9323 106.2892 47.5778 0.0000 175.7515 59 V 3.6261 7.9194 120.6723 65.8463 31.6025 178.3613 60 V 3.5894 7.8503 118.0336 66.1794 31.3925 178.0071 61 T 3.8199 8.2427 115.8652 67.0223 68.4355 176.4283 62 D 4.5368 8.3694 120.7064 57.0363 40.7593 179.1618 63 G 4.2035 8.4231 108.2398 47.3545 0.0000 175.3475 64 M 4.2388 8.4712 119.8667 58.6874 32.3812 178.0394 65 A 4.1636 7.7852 119.0551 55.1922 18.6493 179.4530 66 S 4.2376 8.0895 113.9004 59.4583 63.1449 175.4084 67 G 3.7898 8.3820 108.9565 44.0421 0.0000 173.4208 68 L 3.0501 7.8941 118.7699 57.8030 41.9699 178.7274 69 D 4.3176 7.9190 116.5891 56.3885 41.5023 176.6811 70 K 4.4313 7.6711 116.6764 55.5218 32.5456 175.7563 71 D 4.5589 8.5389 116.4194 55.4522 38.9695 173.2123 72 Y 3.9159 7.5443 113.1424 59.1577 35.9851 169.7863 73 L 5.0688 7.6427 117.3222 52.3307 45.6039 176.8185 74 K 4.1825 8.5077 123.6235 55.0362 32.6781 174.3577 75 P 4.3908 0.0000 0.0000 64.2813 31.6794 175.6200 76 D 4.4094 8.9060 120.3141 55.0299 38.5047 173.1531 77 D 4.3680 7.8252 119.5353 54.5020 41.1768 177.5150 78 S 4.3008 8.6810 121.6934 60.7733 63.2285 175.4065 79 R 4.0541 8.3139 119.3618 57.4728 30.1636 176.4783 80 V 4.1379 7.5186 118.6472 61.7971 31.5973 175.5680 81 I 3.9920 8.6657 129.6245 64.2363 37.4987 176.4262 82 A 4.7939 7.6254 120.7673 51.6035 22.3158 174.6942 83 H 5.5141 8.5870 113.7382 54.9904 31.4163 173.1035 84 T 4.6534 8.7565 111.5077 59.9556 70.9268 174.1238 85 K 4.3840 9.0994 122.0850 56.4659 33.6995 176.3869 86 L 4.6835 8.4463 123.5600 54.8708 42.7430 175.8307 87 I 4.8039 9.2457 119.8249 59.2899 41.3289 175.1375 88 G 4.6196 9.1850 112.1045 44.0541 0.0000 172.7072 89 S 4.4639 8.0957 114.7973 59.7414 63.0334 175.2995 90 G 3.9259 8.7928 111.4255 45.6378 0.0000 173.3230 91 E 4.5608 7.9233 119.7263 55.1545 31.2091 174.6487 92 K 5.1312 7.9956 117.8091 56.2388 35.7759 174.7538 93 D 4.7659 8.9564 119.2738 53.4306 45.0336 174.0789 94 S 5.3087 8.6135 119.2081 56.6236 66.5698 173.7416 95 V 4.5724 8.5169 121.6784 60.2487 34.6093 174.4303 96 T 5.2054 8.6152 119.2304 61.8379 71.3856 173.1775 97 F 5.1333 8.5371 119.2177 55.1079 42.4507 173.4577 98 D 4.9740 8.8035 119.8026 53.8349 41.3962 178.1306 99 V 3.8022 8.6806 124.8605 65.3726 31.7512 177.9641 100 S 4.3113 8.0764 113.2323 60.6586 62.8217 175.3288 101 K 4.1697 8.0657 119.7111 57.8644 32.0506 176.8005 102 L 4.9173 7.6660 118.3811 52.0341 43.6577 175.3817 *106 E 3.9292 8.2412 120.0725 56.1573 30.5209 174.6487 107 Q 4.5011 7.9318 122.2659 54.4565 31.0761 174.2540 108 Y 5.1426 8.0733 120.7690 56.5998 41.5419 174.7033 109 M 5.3246 9.3152 120.6061 53.6970 36.8568 174.3359 110 F 5.5956 8.7032 116.4520 54.7980 41.3083 174.1206 111 F 5.4380 7.4265 113.1701 56.4845 41.1930 171.8367 112 C 5.3462 9.2947 120.1954 57.5048 32.1425 174.5849 113 A 4.2776 9.6162 129.9884 54.9118 18.4405 178.6045 114 A 4.0129 8.1307 118.2722 54.9066 18.7606 177.2013 115 H 4.7431 7.7016 112.5087 53.5348 29.4208 173.6607 116 A 4.4834 8.4938 124.9007 53.5927 18.7532 179.1389 117 A 3.9875 7.9123 117.9424 54.8892 18.8412 177.2672 118 M 4.5083 8.3627 117.3644 55.1906 32.4993 175.9253 119 K 4.8853 8.4668 121.8379 56.4658 35.9784 174.6600 120 G 3.6106 7.6518 107.2689 46.0479 0.0000 171.9671 121 T 5.1450 8.4647 109.7561 59.8735 71.6736 173.4694 122 L 5.5906 8.9273 125.3378 53.7155 45.2815 175.2708 123 T 5.0598 8.8487 115.1920 59.9515 72.7015 172.9423 124 L 4.7308 8.7796 126.2640 55.3077 42.7601 177.7413 125 K 4.3011 9.0321 126.3346 55.4407 32.9980 173.4009 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 A 8.36 4.22 1.28 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 0.00 0.00 2 E 8.62 4.36 0.00 2.08 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 2.16 1.96 0.00 3 C 8.47 5.49 0.00 2.74 3.22 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 0.00 4 S 7.65 3.96 0.00 3.48 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 5 V 8.02 4.45 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 0.76 0.00 0.00 0.88 0.00 0.00 6 D 8.51 5.19 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 7 I 8.68 4.78 1.60 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.85 0.50 0.00 0.00 8 Q 9.67 5.22 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 9 G 9.19 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 0.00 0.00 0.00 0.00 10 N 8.30 5.76 0.00 2.87 2.98 0.00 0.00 6.87 8.24 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 11 D 8.89 4.55 0.00 2.72 2.79 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 Q 8.25 4.32 0.00 2.44 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.15 0.00 13 M 7.72 3.06 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.29 0.00 14 Q 7.43 4.46 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.78 0.00 0.00 0.00 0.00 0.00 2.30 1.94 0.00 15 F 8.72 5.71 0.00 3.28 3.07 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 16 N 8.83 4.89 0.00 2.89 2.99 0.00 0.00 5.77 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 17 T 7.73 4.73 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 1.30 0.00 0.00 18 N 8.84 5.23 0.00 2.89 3.07 0.00 0.00 5.66 7.06 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 19 A 8.33 5.20 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 20 I 9.44 4.64 2.02 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.99 0.97 0.00 0.00 21 T 8.60 5.05 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 1.22 0.00 0.00 22 V 8.51 3.90 1.84 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 0.74 0.00 0.00 -0.04 0.00 0.00 23 D 8.75 4.81 0.00 2.83 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 24 K 8.77 4.04 0.00 1.78 1.87 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.54 7.81 25 S 8.40 4.38 0.00 3.97 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 26 C 8.07 4.48 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 27 K 8.62 4.33 0.00 1.68 1.83 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.41 7.81 28 Q 7.92 4.95 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.70 0.00 0.00 0.00 0.00 0.00 2.21 1.89 0.00 29 F 8.50 4.78 0.00 2.72 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 0.00 0.00 0.00 30 T 7.44 4.72 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 1.07 0.00 0.00 31 V 8.45 4.22 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 -0.34 0.00 0.00 0.23 0.00 0.00 32 N 8.79 4.97 0.00 2.65 2.63 0.00 0.00 6.16 6.32 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 33 L 8.66 4.99 0.00 1.67 1.67 1.15 1.15 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 34 S 9.07 5.19 0.00 3.90 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 35 H 8.45 5.97 0.00 3.27 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.55 0.00 2.16 2.00 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 37 G 9.57 4.39 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 0.00 0.00 0.00 38 N 9.23 4.97 0.00 2.60 2.79 0.00 0.00 6.91 7.68 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 39 L 8.48 4.34 0.00 1.85 1.59 0.94 0.78 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 40 P 0.00 4.91 0.00 2.33 2.18 0.00 3.69 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 2.15 1.95 0.00 41 K 8.42 4.04 0.00 1.91 2.11 0.00 1.59 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.45 7.81 42 N 8.12 4.63 0.00 2.87 2.98 0.00 0.00 5.80 7.68 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 43 V 7.66 4.17 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 0.83 0.00 0.00 0.94 0.00 0.00 44 M 8.13 4.85 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 45 G 7.86 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 46 H 9.29 5.45 0.00 3.16 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.75 5.57 0.00 3.08 3.10 0.00 0.00 5.44 8.88 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 48 W 9.07 5.53 0.00 3.44 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.93 4.52 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 0.78 0.00 0.00 50 L 8.17 4.90 0.00 1.00 1.08 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.94 5.22 0.00 4.04 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 52 T 8.57 4.28 4.07 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 1.15 0.00 0.00 53 A 8.80 4.04 1.29 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 0.00 0.00 54 A 7.85 3.95 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 55 D 7.82 4.55 0.00 2.75 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 56 M 7.65 3.77 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.05 0.00 57 Q 7.94 3.92 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 58 G 7.93 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.63 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 1.31 0.00 0.00 1.02 0.00 0.00 60 V 7.85 3.59 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 0.75 0.00 0.00 0.58 0.00 0.00 61 T 8.24 3.82 4.38 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 1.20 0.00 0.00 62 D 8.37 4.54 0.00 2.71 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 63 G 8.42 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 64 M 8.47 4.24 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 65 A 7.79 4.16 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 66 S 8.09 4.24 0.00 4.05 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 67 G 8.38 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 68 L 7.89 3.05 0.00 1.61 1.55 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.92 4.32 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.43 0.00 1.71 1.82 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.32 7.81 71 D 8.54 4.56 0.00 2.84 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 72 Y 7.54 3.92 0.00 3.33 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 73 L 7.64 5.07 0.00 1.58 1.50 0.83 0.86 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 74 K 8.51 4.18 0.00 1.80 1.71 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.43 7.81 75 P 0.00 4.39 0.00 2.08 1.98 0.00 3.87 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 2.10 0.00 76 D 8.91 4.41 0.00 2.84 2.77 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 77 D 7.83 4.37 0.00 2.92 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 78 S 8.68 4.30 0.00 4.03 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 79 R 8.31 4.05 0.00 1.97 2.12 0.00 3.16 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.58 0.00 80 V 7.52 4.14 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 0.78 0.00 0.00 0.96 0.00 0.00 81 I 8.67 3.99 1.56 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.72 0.49 0.00 0.00 82 A 7.63 4.79 1.20 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 83 H 8.59 5.51 0.00 3.23 3.22 0.00 5.52 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.76 4.65 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 85 K 9.10 4.38 0.00 1.80 1.91 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.44 7.81 86 L 8.45 4.68 0.00 1.73 1.67 1.05 0.99 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 87 I 9.25 4.80 1.94 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 1.44 0.73 0.97 0.00 0.00 88 G 9.19 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 89 S 8.10 4.46 0.00 4.07 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 90 G 8.79 3.93 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 0.00 0.00 0.00 91 E 7.92 4.56 0.00 2.22 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 2.27 2.38 0.00 92 K 8.00 5.13 0.00 1.81 1.72 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.42 7.81 93 D 8.96 4.77 0.00 2.81 2.51 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 0.00 0.00 0.00 0.00 94 S 8.61 5.31 0.00 3.67 3.59 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 0.00 95 V 8.52 4.57 2.12 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 1.03 0.00 0.00 1.05 0.00 0.00 96 T 8.62 5.21 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 1.11 0.00 0.00 97 F 8.54 5.13 0.00 3.13 3.14 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 0.00 98 D 8.80 4.97 0.00 2.83 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 99 V 8.68 3.80 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 1.05 0.00 0.00 0.88 0.00 0.00 100 S 8.08 4.31 0.00 4.05 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 0.00 101 K 8.07 4.17 0.00 1.98 1.91 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.48 7.81 102 L 7.67 4.92 0.00 1.66 1.42 0.85 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *106 E 8.24 3.93 0.00 1.87 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 1.89 1.47 0.00 107 Q 7.93 4.50 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 108 Y 8.07 5.14 0.00 3.27 2.98 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 0.00 109 M 9.32 5.32 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 110 F 8.70 5.60 0.00 1.82 2.57 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 0.00 111 F 7.43 5.44 0.00 3.26 3.08 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 0.00 112 C 9.29 5.35 0.00 3.04 3.07 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 0.00 113 A 9.62 4.28 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.01 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 0.00 115 H 7.70 4.74 0.00 3.18 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.49 4.48 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 0.00 117 A 7.91 3.99 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 0.00 118 M 8.36 4.51 0.00 1.42 2.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 119 K 8.47 4.89 0.00 1.71 1.75 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.33 7.81 120 G 7.65 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.46 5.14 4.29 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 1.19 0.00 0.00 122 L 8.93 5.59 0.00 2.04 1.74 1.16 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.85 5.06 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 1.28 0.00 0.00 124 L 8.78 4.73 0.00 1.61 1.67 0.98 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 0.00 125 K 9.03 4.30 0.00 1.37 1.57 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.