NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4971 8.3231 117.0949 58.1922 64.5886 172.6249 3 G 3.9346 8.2422 110.7741 45.5059 0.0000 172.0726 4 R 4.0794 8.1844 120.1643 55.8487 31.7205 174.1423 5 T 4.7595 7.9494 108.9133 59.7806 72.5170 172.5843 6 W 5.2465 8.5435 120.4953 55.1172 33.7633 174.3382 7 R 5.2671 8.7121 120.1751 54.5019 34.5308 173.8608 8 E 5.3116 8.9332 116.8905 55.0721 33.6564 174.3744 9 A 4.9724 8.7669 120.6985 50.5604 22.9953 175.7072 10 D 5.1038 9.2737 121.8323 54.4685 40.7299 175.9697 11 I 4.6806 8.2377 114.4562 59.6680 41.4598 175.1178 12 N 4.3794 8.8421 118.0172 54.4083 35.6664 173.2652 13 Y 4.5809 7.4367 120.4608 56.6890 39.9280 174.5723 14 T 3.9401 7.5115 115.1061 62.3027 70.6428 173.8335 15 S 4.1908 6.5345 112.9418 57.8483 66.3651 175.2446 16 G 3.9320 8.5488 106.8799 46.4949 0.0000 173.4592 17 F 4.6853 8.4484 121.9511 57.0003 39.7239 175.5454 18 R 4.0895 8.9012 123.9740 56.8340 30.5053 175.8311 19 N 5.0552 8.4751 117.6377 51.5815 40.0386 174.7236 20 S 4.5175 8.4462 111.8276 58.6366 63.4601 172.3585 21 D 5.3126 8.3153 122.4937 53.4212 42.4204 175.8142 22 R 4.8586 8.9027 121.5712 54.4781 35.1898 173.7278 23 I 4.9407 9.0803 122.2314 59.3433 40.8395 174.1227 24 L 5.4375 9.5065 129.0553 53.0777 44.3462 175.0351 25 Y 5.7342 8.9210 121.9059 55.4413 41.5130 175.2749 26 S 3.9742 8.5353 118.1481 56.2448 65.0993 175.2807 27 S 3.5190 8.0217 115.2217 60.6233 62.5493 174.8437 28 D 4.7307 7.4202 118.4267 52.4641 39.3899 175.9395 29 W 3.7139 7.3381 116.9948 58.3717 27.2385 174.6653 30 L 4.4718 7.5008 117.6245 55.0920 42.5828 176.4722 31 I 5.5314 8.5394 121.7209 60.1897 41.2759 173.9131 32 Y 5.3675 10.0174 124.1303 56.0160 42.2576 174.5486 33 K 5.2580 9.3491 120.1297 55.5647 36.5808 174.8356 34 T 4.8187 8.7396 114.9538 60.3615 70.8971 174.0273 35 T 4.9912 8.6543 114.8301 60.0064 69.4054 173.4217 36 D 4.7495 7.3282 120.9000 53.6721 40.1991 174.8232 37 H 3.4522 8.6620 114.7915 58.7177 28.3537 174.6179 38 Y 3.1519 7.4655 113.3179 58.1865 36.5593 171.1997 39 Q 4.1850 7.7310 119.0853 58.5423 28.9463 176.5631 40 T 4.8907 7.9472 105.2938 59.8355 71.9244 173.3819 41 F 5.2281 8.9621 120.2258 56.1440 43.0144 174.3401 42 T 4.7654 9.0829 118.4333 61.5194 71.6196 173.3409 43 K 3.5668 8.5585 127.4553 56.0142 33.1207 175.8657 44 I 4.0887 8.1682 129.0477 60.2780 37.5278 176.0050 45 R 4.0424 8.9704 127.4604 57.1729 30.6375 177.3920 46 C 5.9784 7.4992 129.8560 60.4611 29.4618 173.2984 *56 V 4.1875 7.2226 122.7374 62.7111 33.5522 177.4200 57 A 4.1368 8.2176 123.3458 55.9027 17.9967 179.7601 58 D 4.3624 8.1480 119.1957 58.8035 39.8130 179.6825 59 Y 4.3804 8.1545 120.7885 60.6355 38.9150 178.1561 60 L 4.0891 8.4811 120.2014 57.7574 41.4938 179.0481 61 Q 3.9386 7.7708 118.6172 58.9059 28.9547 178.0254 62 T 3.8013 6.7454 108.8925 63.9604 69.7231 175.8352 63 Y 3.8800 6.9332 117.5598 57.9675 38.3611 175.1129 64 H 2.5800 7.1387 115.7771 55.0349 26.7476 173.9847 65 K 4.7992 7.4926 114.2034 55.8989 35.1837 175.0478 66 L 4.1644 8.3398 119.8465 53.4079 42.0995 175.3724 67 P 3.7815 0.0000 0.0000 62.5464 31.5750 177.0144 68 D 4.4163 8.3106 117.8222 56.7829 41.1058 177.5397 69 N 4.6492 7.5895 117.0556 52.9449 37.2836 173.3449 70 Y 5.2767 7.4873 116.4997 56.6784 40.1882 175.3069 71 I 4.8566 8.6535 116.9573 58.9444 41.3617 175.2179 72 T 4.5910 8.4645 114.5149 61.6185 69.9395 175.4809 73 K 3.9199 9.1304 122.4961 59.9865 32.1381 179.7935 74 S 4.3050 8.1636 113.7203 61.6388 62.7477 176.1803 75 E 3.9869 8.1560 121.9226 59.0899 29.1090 179.1898 76 A 4.0128 8.2801 120.9529 54.9861 18.3546 179.4947 77 Q 4.1239 8.8215 116.9256 59.4889 28.7176 179.2945 78 A 4.2938 8.0560 119.8565 54.8005 18.4585 178.7072 79 L 4.3802 7.4973 115.3482 55.0017 41.9232 177.5148 80 G 3.9229 8.5123 107.6774 45.3362 0.0000 173.4438 81 W 4.4734 8.3686 130.0288 56.8833 31.1771 176.0981 82 V 3.8006 8.9211 126.1188 60.2520 30.9698 175.2763 83 A 3.4317 7.2339 130.3215 54.8737 18.0792 179.7186 84 S 4.3853 7.7451 107.1871 59.9896 63.3750 174.9254 85 K 4.2884 8.3641 120.6425 56.7474 32.6420 177.4356 86 G 3.5170 8.2394 106.8045 45.6422 0.0000 173.7556 87 N 5.0414 8.2561 114.4963 52.1513 38.0281 176.4845 88 L 4.0425 8.2912 123.3558 58.8711 42.3307 178.0260 89 A 4.3809 8.0719 117.9961 53.1772 18.7324 177.1932 90 D 4.6985 7.7251 115.2678 55.8663 42.0431 178.4909 91 V 3.8824 7.8343 110.6874 63.2817 31.7160 176.1329 92 A 4.5582 8.1580 122.5714 49.3465 19.2138 172.3834 93 P 4.4086 0.0000 0.0000 63.7593 32.1433 177.5085 94 G 3.8885 8.9235 110.2777 45.1850 0.0000 172.9632 95 K 4.7661 7.3227 117.5558 54.7242 34.3990 175.8832 96 S 4.7583 8.5909 118.5712 56.3501 67.0281 173.4626 97 I 4.2756 7.9461 122.5621 61.4620 37.9005 175.4998 98 G 4.1060 9.0717 112.2343 46.8503 0.0000 173.8367 99 G 4.2842 9.6158 110.0749 44.3220 0.0000 173.8688 100 D 4.7251 7.8253 119.4905 53.5758 42.4545 175.8726 101 I 4.1995 8.3903 122.1206 61.8333 37.9081 175.1116 102 F 4.8353 9.0109 129.2356 56.7064 40.6307 175.3881 103 S 4.1057 8.2537 121.2974 58.0893 63.8266 173.2289 104 N 3.4521 5.7700 118.5603 54.3442 36.8508 175.5292 105 R 3.8096 7.1919 116.5782 58.8587 29.7034 178.1779 106 E 4.1713 8.0498 115.6044 55.7897 30.0633 176.9742 107 G 3.7438 7.7053 106.7089 46.3887 0.0000 175.4397 108 K 4.0364 7.3240 118.7771 58.0371 32.3423 177.7870 109 L 3.8161 7.1193 118.3096 52.1753 42.6387 174.6346 110 P 4.6616 0.0000 0.0000 62.9079 33.2006 174.2451 111 G 4.0771 8.5572 114.1907 44.8984 0.0000 173.1783 112 K 4.1610 9.2855 127.3327 54.5252 31.7828 175.1836 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 2 S 8.32 4.50 0.00 3.65 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 3 G 8.24 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 4 R 8.18 4.08 0.00 1.55 1.75 0.00 3.26 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.20 0.00 5 T 7.95 4.76 4.16 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 1.15 0.00 0.00 6 W 8.54 5.25 0.00 3.57 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 7 R 8.71 5.27 0.00 0.67 1.50 0.00 3.03 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.32 0.00 8 E 8.93 5.31 0.00 2.01 1.83 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 2.36 2.35 0.00 9 A 8.77 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.27 5.10 0.00 2.76 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 I 8.24 4.68 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.00 1.02 0.00 0.00 12 N 8.84 4.38 0.00 2.95 2.98 0.00 0.00 6.84 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 13 Y 7.44 4.58 0.00 3.24 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 14 T 7.51 3.94 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 1.08 0.00 0.00 15 S 6.53 4.19 0.00 3.86 3.68 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 16 G 8.55 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 17 F 8.45 4.69 0.00 3.19 2.99 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 18 R 8.90 4.09 0.00 1.94 1.95 0.00 3.38 0.00 0.00 3.59 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.73 0.00 19 N 8.48 5.06 0.00 2.84 2.95 0.00 0.00 6.04 7.64 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 20 S 8.45 4.52 0.00 4.06 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 21 D 8.32 5.31 0.00 2.96 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 22 R 8.90 4.86 0.00 1.43 1.70 0.00 3.48 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.00 23 I 9.08 4.94 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.79 1.06 0.00 0.00 24 L 9.51 5.44 0.00 1.51 1.25 0.19 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.92 5.73 0.00 3.03 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 26 S 8.54 3.97 0.00 2.72 2.63 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 27 S 8.02 3.52 0.00 3.77 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 28 D 7.42 4.73 0.00 2.77 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 29 W 7.34 3.71 0.00 3.43 3.34 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 30 L 7.50 4.47 0.00 1.61 2.00 1.04 0.82 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 31 I 8.54 5.53 2.02 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.29 1.09 0.00 0.00 32 Y 10.02 5.37 0.00 2.80 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 33 K 9.35 5.26 0.00 1.89 1.93 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.36 7.81 34 T 8.74 4.82 3.49 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 0.78 0.00 0.00 35 T 8.65 4.99 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 1.18 0.00 0.00 36 D 7.33 4.75 0.00 2.98 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 37 H 8.66 3.45 0.00 3.23 3.38 0.00 5.83 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 38 Y 7.47 3.15 0.00 3.17 3.25 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 39 Q 7.73 4.19 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 40 T 7.95 4.89 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 1.22 0.00 0.00 41 F 8.96 5.23 0.00 2.93 3.13 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 42 T 9.08 4.77 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 43 K 8.56 3.57 0.00 1.15 1.49 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 0.89 7.81 44 I 8.17 4.09 1.90 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 1.39 1.03 0.93 0.00 0.00 45 R 8.97 4.04 0.00 1.79 1.95 0.00 3.35 0.00 0.00 3.22 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 46 C 7.50 5.98 0.00 3.05 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 *56 V 7.22 4.19 2.17 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 1.11 0.00 0.00 1.06 0.00 0.00 57 A 8.22 4.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.36 0.00 2.70 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 59 Y 8.15 4.38 0.00 3.09 3.17 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 60 L 8.48 4.09 0.00 2.00 1.87 0.78 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.77 3.94 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 62 T 6.75 3.80 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 0.87 0.00 0.00 63 Y 6.93 3.88 0.00 2.57 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 64 H 7.14 2.58 0.00 2.84 2.55 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.49 4.80 0.00 1.98 1.92 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.70 7.81 66 L 8.34 4.16 0.00 1.68 1.60 0.73 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 3.78 0.00 2.18 1.28 0.00 3.59 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.80 0.00 68 D 8.31 4.42 0.00 2.66 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 69 N 7.59 4.65 0.00 2.95 2.86 0.00 0.00 6.62 7.45 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 70 Y 7.49 5.28 0.00 2.98 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 71 I 8.65 4.86 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 0.90 0.00 0.00 72 T 8.46 4.59 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 73 K 9.13 3.92 0.00 1.99 2.18 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.72 1.56 7.81 74 S 8.16 4.31 0.00 4.10 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 75 E 8.16 3.99 0.00 2.15 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 2.36 2.36 0.00 76 A 8.28 4.01 1.09 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 0.00 0.00 77 Q 8.82 4.12 0.00 2.43 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 78 A 8.06 4.29 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 79 L 7.50 4.38 0.00 1.82 1.77 0.92 0.97 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 80 G 8.51 3.92 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 0.00 0.00 0.00 81 W 8.37 4.47 0.00 3.19 3.25 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 82 V 8.92 3.80 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 0.82 0.00 0.00 0.94 0.00 0.00 83 A 7.23 3.43 0.55 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 0.00 0.00 84 S 7.75 4.39 0.00 3.98 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 85 K 8.36 4.29 0.00 1.88 1.90 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.36 7.81 86 G 8.24 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 5.04 0.00 2.90 3.03 0.00 0.00 5.78 6.67 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 88 L 8.29 4.04 0.00 1.80 1.84 0.24 0.43 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 89 A 8.07 4.38 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 90 D 7.73 4.70 0.00 2.87 2.74 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 91 V 7.83 3.88 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 0.86 0.00 0.00 1.15 0.00 0.00 92 A 8.16 4.56 1.17 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 93 P 0.00 4.41 0.00 2.03 1.98 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 94 G 8.92 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 0.00 0.00 0.00 95 K 7.32 4.77 0.00 1.73 1.60 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 96 S 8.59 4.76 0.00 3.02 3.68 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 97 I 7.95 4.28 1.73 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.30 0.88 0.00 0.00 98 G 9.07 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 99 G 9.62 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 0.00 0.00 0.00 0.00 100 D 7.83 4.73 0.00 2.69 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 0.00 101 I 8.39 4.20 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 1.21 0.47 0.94 0.00 0.00 102 F 9.01 4.84 0.00 2.88 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 0.00 103 S 8.25 4.11 0.00 3.57 3.67 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 0.00 0.00 0.00 0.00 104 N 5.77 3.45 0.00 2.52 2.52 0.00 0.00 7.19 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 0.00 105 R 7.19 3.81 0.00 1.63 1.83 0.00 3.03 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.00 106 E 8.05 4.17 0.00 2.02 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 2.32 2.28 0.00 107 G 7.71 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 0.00 0.00 0.00 108 K 7.32 4.04 0.00 1.46 1.91 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.81 7.81 109 L 7.12 3.82 0.00 0.81 0.38 -0.84 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.66 0.00 2.30 2.13 0.00 3.27 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 111 G 8.56 4.08 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 0.00 0.00 0.00 112 K 9.29 4.16 0.00 1.85 1.95 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.18 0.86 7.81 * Residues marked with a * may have inaccurate shift predictions.