NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3739 8.4444 120.2485 56.3390 30.8912 174.4703 8 I 3.8128 7.9349 120.5070 58.0336 39.0008 174.2327 9 S 4.3566 9.5818 124.7778 57.9404 64.8757 174.1146 10 S 4.5576 9.0531 123.2118 62.1752 62.7046 176.6443 11 A 4.3565 8.2185 123.9038 54.9602 18.2384 179.3582 12 E 3.7471 8.0880 116.6273 59.2588 29.2858 179.2026 13 W 4.0858 8.3005 118.4279 60.0938 29.2317 177.6764 14 E 4.3315 8.0610 116.8008 59.4796 29.2133 179.3982 15 V 3.8091 8.1696 117.5605 63.3252 31.5843 177.5281 *17 N 5.1925 8.3403 117.0531 53.1864 40.4885 177.0592 18 I 3.7618 7.9867 117.6265 64.6541 37.5368 177.6696 19 I 3.8846 7.7888 120.4950 64.4499 36.9794 180.0412 20 W 4.7496 6.9951 117.5081 57.0316 28.7306 177.4370 *22 K 4.2301 8.0739 115.9992 55.0242 33.5799 176.3262 23 K 4.1831 8.6066 122.5785 57.3722 31.2988 174.6272 24 Y 5.3800 7.4663 117.7045 56.6145 41.2825 173.9832 25 A 4.5930 8.0498 121.1519 51.2746 23.3724 175.8527 26 S 4.7445 8.3258 115.9653 56.8771 65.7511 173.7818 27 A 3.6629 8.9400 117.4645 56.9122 19.0345 179.5615 28 N 4.3947 8.4590 111.6527 55.5227 39.0630 176.6307 29 N 4.2246 7.8019 117.2041 57.0563 38.9633 176.6833 30 I 3.8793 8.0892 121.1142 64.1927 37.2247 177.9555 31 I 3.6976 7.3783 119.1321 64.8176 36.5312 177.6859 32 E 4.0908 8.4865 119.0977 59.8775 29.3095 179.2579 33 E 4.2829 7.8332 114.6017 57.7227 29.6068 178.0128 34 I 4.3326 7.2479 119.4296 62.3960 39.4422 176.9234 35 Q 4.3191 8.6138 119.7523 55.7650 26.8305 176.5450 *37 Q 4.1804 7.7155 116.1316 55.4395 31.0612 173.5159 38 K 4.2216 7.4211 114.6609 56.6297 36.4287 175.7616 39 D 4.5069 7.3774 118.3750 52.0847 41.0234 173.3448 40 W 5.0361 7.9375 122.6748 53.7434 33.2107 175.2874 41 S 4.5845 8.4046 113.2384 57.2579 64.0250 172.9300 42 P 4.2487 0.0000 0.0000 65.5743 31.0356 179.0054 43 K 4.0497 7.8339 117.5153 59.1202 31.8908 179.2255 44 T 3.7267 7.7070 114.7332 67.1828 68.6967 175.7136 45 I 3.4339 7.9629 121.2610 64.5288 37.0592 178.0785 46 R 3.7096 8.0431 118.2434 60.1962 29.9424 178.7730 47 T 3.7609 7.7596 115.1696 66.5660 68.4378 176.5403 48 L 3.7919 8.2337 121.1946 57.6734 41.5292 179.6542 49 I 3.3893 7.3991 119.0451 64.5661 37.1198 178.0256 50 T 3.8493 7.7713 116.5577 67.0636 68.2645 176.1337 51 R 3.8903 8.0886 119.6690 59.7810 30.1737 178.8290 52 L 3.8731 7.9011 118.0812 58.0613 41.3928 179.0799 53 Y 4.0566 8.3522 118.6976 60.7933 38.8321 178.1376 54 K 4.2181 8.6340 118.5228 59.4333 32.2516 179.3361 55 K 4.1974 8.6758 118.5273 57.2445 32.1973 177.4021 56 G 3.6182 8.0753 106.6251 46.2397 0.0000 173.9883 57 F 4.6302 8.2160 118.3039 57.4236 40.9954 175.7445 58 I 4.9091 7.4717 110.3000 59.4468 41.3103 173.0005 59 D 4.7918 8.3776 121.2357 53.1683 45.3774 173.4397 60 R 4.8523 8.5507 117.1833 54.6185 32.7764 174.8976 61 K 4.6868 7.6880 127.6721 56.5073 35.2628 174.8274 62 K 4.2687 8.0993 130.0946 55.9337 29.5577 175.8270 63 D 4.4696 8.0649 122.1779 56.3592 42.9187 176.2789 64 N 4.2766 8.2704 116.6721 54.4027 37.5725 174.8465 65 K 4.6314 5.6787 115.4143 55.4798 34.6329 174.5377 66 I 4.8416 7.3464 110.4629 59.1465 41.0668 174.9208 67 F 4.2302 9.0279 121.6795 57.9967 39.8204 175.2040 68 Q 4.3827 8.3776 119.5356 54.4592 31.6302 174.3910 69 Y 5.4737 9.6376 122.9140 57.1716 40.0179 174.4626 70 Y 5.2610 7.9205 118.1136 55.2826 41.9511 173.9766 71 S 4.5620 8.8469 114.7760 58.5418 62.8396 173.3628 72 L 4.6630 8.8969 124.2877 55.2946 43.5757 177.5204 73 V 4.2658 7.4824 111.2583 59.8294 33.1425 175.7135 74 E 4.3468 8.6980 123.7106 55.8682 30.7290 175.7157 75 E 2.8941 9.3847 123.9850 60.1812 28.8892 178.1276 76 S 3.7780 8.2870 116.5259 61.7234 63.4352 176.2391 77 D 4.5196 7.9725 121.6699 56.5406 40.7712 177.8115 78 I 4.0417 8.4778 119.8125 63.6402 38.3476 177.5284 79 K 4.1264 8.2174 118.8780 59.9046 31.8628 178.3529 80 Y 4.2238 7.7612 118.2232 60.6141 38.8453 178.0875 81 K 3.5392 7.5923 119.6573 59.6310 32.3497 178.8247 82 T 3.9698 8.9295 117.0867 67.0531 68.4236 176.8564 83 S 4.2313 8.5262 117.2767 61.3876 62.7333 176.7977 84 K 3.8803 7.9622 121.3416 59.5157 31.6034 178.4257 85 N 4.2483 7.7988 115.6275 57.6506 39.0893 175.7797 86 F 4.0794 8.6055 121.2735 60.8976 39.1306 176.7329 87 I 3.6433 8.8365 118.6702 64.9445 37.1884 177.8724 88 N 4.2967 7.9609 115.7090 56.3198 38.4176 177.1170 89 K 4.1074 8.0860 119.5115 59.5062 33.0164 178.2363 90 V 3.8171 7.1373 117.6079 63.5416 32.0056 174.8860 91 Y 4.0335 7.8941 117.8604 57.3913 38.2832 176.3770 92 K 4.0640 8.9508 125.4776 58.9738 33.1002 178.4025 93 G 3.8153 7.9163 109.5492 46.4534 0.0000 172.8294 94 G 3.8109 7.8489 105.8856 46.3724 0.0000 170.9095 95 F 4.3673 8.9912 120.4302 62.6355 39.0625 176.9833 96 N 3.8060 8.5940 113.3032 56.5275 38.0038 176.3349 97 S 4.0770 8.0089 119.5605 60.8339 63.3283 176.2427 98 L 3.2592 7.6368 122.9465 57.7440 42.0990 178.0867 99 V 3.1790 6.7216 117.6978 66.1211 30.9644 177.7324 100 L 3.9511 7.6987 119.1466 58.1642 41.4363 178.2876 101 N 4.4991 8.7375 117.3182 56.3953 38.9011 176.9604 102 F 3.9517 8.3960 119.5621 60.2217 38.9176 177.8764 103 V 3.7587 7.8294 117.6763 65.6756 31.2663 177.3445 104 E 4.0803 7.9514 117.4813 57.7337 29.4525 177.2211 105 K 4.3809 7.1849 116.4663 55.5342 33.1507 176.4953 106 E 3.7338 7.7900 116.5810 57.7902 26.9442 174.5784 107 D 4.7374 8.6236 113.9358 53.5312 41.8584 175.3581 108 L 4.7881 7.6108 116.9584 52.6300 44.8000 176.1716 109 S 4.6088 8.4109 117.9900 57.0283 64.7254 174.9318 110 Q 3.5299 8.6750 122.8148 59.5540 28.0922 178.6883 111 D 4.3941 8.1014 119.5488 57.0850 40.5672 178.3527 112 E 3.8832 8.9351 119.9404 59.3856 29.5491 179.1983 113 I 3.7220 7.6448 117.7080 64.3390 37.4295 177.4814 114 E 3.9861 8.2776 120.5197 59.0289 29.0751 178.1752 115 E 3.8609 7.8245 118.7335 59.5581 29.6080 178.9147 116 L 3.8245 7.6339 118.4553 58.3569 41.6402 179.2900 117 R 4.0781 7.9010 117.0273 59.9286 29.9473 178.3926 118 N 4.5746 7.5728 113.0016 54.8185 38.5116 176.2000 119 I 4.2897 8.2617 122.1369 61.7871 38.5059 176.7414 120 L 4.4980 8.5372 118.8463 54.8463 41.7893 176.4015 121 N 4.5431 7.7062 121.9920 53.5965 39.7176 174.1100 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 7 E 8.44 4.37 0.00 2.03 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 0.00 2.30 2.37 0.00 8 I 7.93 3.81 0.56 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.16 0.57 0.00 0.00 9 S 9.58 4.36 0.00 3.83 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 10 S 9.05 4.56 0.00 4.16 4.13 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 0.00 0.00 0.00 0.00 11 A 8.22 4.36 1.33 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 12 E 8.09 3.75 0.00 1.98 1.72 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 2.20 2.25 0.00 13 W 8.30 4.09 0.00 3.52 3.42 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 14 E 8.06 4.33 0.00 2.38 2.29 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 2.65 2.84 0.00 15 V 8.17 3.81 2.07 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 0.82 0.00 0.00 0.84 0.00 0.00 *17 N 8.34 5.19 0.00 3.21 3.08 0.00 0.00 7.02 7.32 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 18 I 7.99 3.76 2.00 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 1.66 0.79 0.96 0.00 0.00 19 I 7.79 3.88 1.59 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.91 0.00 0.00 20 W 7.00 4.75 0.00 3.82 3.30 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 *22 K 8.07 4.23 0.00 2.01 2.04 0.00 1.96 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.78 7.81 23 K 8.61 4.18 0.00 2.02 1.99 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.57 7.81 24 Y 7.47 5.38 0.00 2.90 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 25 A 8.05 4.59 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 26 S 8.33 4.74 0.00 3.90 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 27 A 8.94 3.66 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 28 N 8.46 4.39 0.00 2.76 2.89 0.00 0.00 6.45 6.92 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 29 N 7.80 4.22 0.00 2.71 2.91 0.00 0.00 7.29 9.28 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 30 I 8.09 3.88 2.11 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.09 0.89 0.00 0.00 31 I 7.38 3.70 2.07 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 1.54 1.07 0.96 0.00 0.00 32 E 8.49 4.09 0.00 2.01 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 2.36 2.40 0.00 33 E 7.83 4.28 0.00 2.06 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 2.38 2.53 0.00 34 I 7.25 4.33 2.20 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.17 1.11 0.00 0.00 35 Q 8.61 4.32 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 *37 Q 7.72 4.18 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 38 K 7.42 4.22 0.00 1.59 0.82 0.00 0.77 0.00 0.00 1.21 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 0.95 7.81 39 D 7.38 4.51 0.00 2.42 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 0.00 0.00 0.00 40 W 7.94 5.04 0.00 3.50 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 41 S 8.40 4.58 0.00 3.89 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 42 P 0.00 4.25 0.00 2.20 2.12 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 43 K 7.83 4.05 0.00 1.71 1.81 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.60 7.81 44 T 7.71 3.73 4.27 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 0.78 0.00 0.00 45 I 7.96 3.43 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.11 0.88 0.00 0.00 46 R 8.04 3.71 0.00 2.07 1.97 0.00 3.04 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 47 T 7.76 3.76 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 1.11 0.00 0.00 48 L 8.23 3.79 0.00 1.57 1.47 0.25 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.40 3.39 1.70 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 -0.12 0.00 0.00 50 T 7.77 3.85 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 1.16 0.00 0.00 51 R 8.09 3.89 0.00 1.89 1.95 0.00 3.26 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 52 L 7.90 3.87 0.00 1.74 1.61 0.57 0.07 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 53 Y 8.35 4.06 0.00 3.04 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 54 K 8.63 4.22 0.00 2.00 1.93 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.78 1.93 7.81 55 K 8.68 4.20 0.00 2.09 2.11 0.00 1.73 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.63 7.81 56 G 8.08 3.62 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 57 F 8.22 4.63 0.00 2.82 2.88 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 58 I 7.47 4.91 1.89 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.72 0.00 0.00 59 D 8.38 4.79 0.00 2.21 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 0.00 0.00 0.00 60 R 8.55 4.85 0.00 1.32 1.61 0.00 2.94 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.31 0.00 61 K 7.69 4.69 0.00 1.99 1.96 0.00 1.93 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.24 1.11 7.81 62 K 8.10 4.27 0.00 1.47 1.61 0.00 1.64 0.00 0.00 2.01 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 D 8.06 4.47 0.00 2.69 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 64 N 8.27 4.28 0.00 2.73 2.55 0.00 0.00 6.63 6.68 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 65 K 5.68 4.63 0.00 1.63 1.72 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.42 7.81 66 I 7.35 4.84 1.89 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 0.80 0.91 0.00 0.00 67 F 9.03 4.23 0.00 2.54 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 68 Q 8.38 4.38 0.00 1.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 69 Y 9.64 5.47 0.00 2.87 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 70 Y 7.92 5.26 0.00 3.19 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 71 S 8.85 4.56 0.00 3.69 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 72 L 8.90 4.66 0.00 1.52 1.63 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.48 4.27 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 0.61 0.00 0.00 1.30 0.00 0.00 74 E 8.70 4.35 0.00 2.07 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 2.43 2.33 0.00 75 E 9.38 2.89 0.00 1.16 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 1.75 1.47 0.00 76 S 8.29 3.78 0.00 4.00 4.03 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 0.00 0.00 0.00 0.00 77 D 7.97 4.52 0.00 2.76 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 78 I 8.48 4.04 2.13 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.46 1.35 0.00 0.00 79 K 8.22 4.13 0.00 1.84 1.86 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.55 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.75 1.49 7.81 80 Y 7.76 4.22 0.00 2.98 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 81 K 7.59 3.54 0.00 2.13 2.01 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.42 7.81 82 T 8.93 3.97 4.65 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 1.41 0.00 0.00 83 S 8.53 4.23 0.00 3.85 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 84 K 7.96 3.88 0.00 1.81 1.74 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 0.87 7.81 85 N 7.80 4.25 0.00 2.78 3.09 0.00 0.00 7.28 6.59 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 86 F 8.61 4.08 0.00 3.21 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 87 I 8.84 3.64 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.00 1.02 0.00 0.00 88 N 7.96 4.30 0.00 2.93 2.91 0.00 0.00 7.15 7.75 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 89 K 8.09 4.11 0.00 1.85 2.03 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.29 7.81 90 V 7.14 3.82 1.51 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 0.39 0.00 0.00 0.41 0.00 0.00 91 Y 7.89 4.03 0.00 3.09 2.90 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 92 K 8.95 4.06 0.00 1.76 1.89 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.37 7.81 93 G 7.92 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 0.00 0.00 0.00 94 G 7.85 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 95 F 8.99 4.37 0.00 3.02 3.09 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 96 N 8.59 3.81 0.00 2.82 2.70 0.00 0.00 6.65 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 97 S 8.01 4.08 0.00 3.92 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 98 L 7.64 3.26 0.00 0.89 1.11 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 99 V 6.72 3.18 1.70 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 0.78 0.00 0.00 0.13 0.00 0.00 100 L 7.70 3.95 0.00 1.74 1.65 0.90 0.56 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 0.00 101 N 8.74 4.50 0.00 3.23 3.21 0.00 0.00 7.15 7.65 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 0.00 102 F 8.40 3.95 0.00 3.16 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 0.00 103 V 7.83 3.76 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 1.13 0.00 0.00 1.00 0.00 0.00 104 E 7.95 4.08 0.00 2.21 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 2.34 2.40 0.00 105 K 7.18 4.38 0.00 1.59 1.68 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.48 7.81 106 E 7.79 3.73 0.00 1.99 1.92 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 2.27 2.22 0.00 107 D 8.62 4.74 0.00 2.29 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.79 0.00 1.65 1.55 1.00 1.08 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 0.00 109 S 8.41 4.61 0.00 4.00 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 0.00 110 Q 8.67 3.53 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 111 D 8.10 4.39 0.00 2.76 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 0.00 112 E 8.94 3.88 0.00 2.29 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 2.34 2.35 0.00 113 I 7.64 3.72 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 1.54 0.48 0.91 0.00 0.00 114 E 8.28 3.99 0.00 2.20 2.14 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 2.31 2.36 0.00 115 E 7.82 3.86 0.00 1.96 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 2.32 2.40 0.00 116 L 7.63 3.82 0.00 1.92 1.73 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.90 4.08 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 118 N 7.57 4.57 0.00 2.83 2.86 0.00 0.00 7.09 7.33 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 0.00 119 I 8.26 4.29 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.83 0.91 0.00 0.00 120 L 8.54 4.50 0.00 1.66 1.70 0.93 0.95 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 0.00 121 N 7.71 4.54 0.00 2.64 2.63 0.00 0.00 6.86 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 * Residues marked with a * may have inaccurate shift predictions.