NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3316 8.3149 120.1295 56.6448 33.3562 174.9596 3 N 4.7129 8.7932 119.1593 51.2914 38.5568 172.8105 4 Y 4.8613 8.0296 116.2008 56.4297 41.5104 173.2710 5 Q 4.2162 8.3100 118.1252 54.1832 32.7058 174.1386 6 K 4.6111 8.0887 120.9898 54.6664 35.8888 175.1649 *8 S 4.2444 8.2592 115.7113 58.1855 63.7498 173.7263 9 V 4.3002 8.0529 122.5837 60.4519 33.9991 175.3154 10 A 4.1537 8.3996 129.4379 51.9968 19.0334 177.6489 11 Q 3.9981 8.7672 121.3102 58.8510 29.0305 177.8218 12 D 4.8301 7.8533 115.8047 53.7041 41.8382 175.4452 13 A 4.5304 7.5804 120.9517 50.8755 20.4991 177.7341 14 R 4.9443 8.2235 120.1697 54.1181 31.6494 175.9275 15 V 4.5656 8.0765 115.9089 60.1879 36.7788 173.2052 16 E 5.0599 8.6241 120.7426 54.9530 31.5647 176.5689 17 L 4.3127 9.0982 123.0288 56.0166 42.7808 178.1800 18 H 3.9908 8.6379 119.2981 59.6874 29.7229 176.8872 19 D 4.3894 8.1684 118.2427 57.3882 41.0637 179.0939 20 S 4.1355 8.1379 113.9526 60.7731 62.9114 174.8382 21 L 4.4676 8.0362 117.1339 53.4264 42.5271 175.7689 22 A 3.6720 7.3479 120.2246 53.0061 16.3360 177.9007 23 L 4.2097 7.8291 120.4902 55.5844 42.5094 178.1101 24 T 4.5814 8.4323 109.0977 61.0582 70.1096 174.5353 25 G 3.9479 7.6793 108.6537 44.9767 0.0000 171.7965 26 A 4.5743 7.1461 119.5086 51.5534 22.3141 174.9717 27 E 4.7379 8.7163 119.3444 54.5026 33.1834 174.6791 28 V 4.9564 8.4253 125.4820 61.0810 34.8424 173.8464 29 S 5.1774 8.8540 122.6528 56.5545 65.9860 172.8750 30 I 4.6994 8.5124 124.6391 59.6377 39.2353 174.3476 31 N 5.2766 8.1803 124.7438 52.7615 43.2089 172.1810 32 H 5.0337 8.2117 113.2520 54.7615 31.0325 173.1098 33 L 4.9592 8.7380 121.1239 52.2148 44.8640 174.5820 34 P 4.8085 0.0000 0.0000 61.8467 33.1415 175.3772 35 A 4.4410 7.9897 122.4133 53.3706 18.4378 178.4353 36 G 3.8561 9.0786 109.7570 45.5388 0.0000 172.9556 37 A 4.7572 7.4642 121.6010 50.3998 22.2797 175.6955 38 G 4.2037 8.0989 104.1861 45.2294 0.0000 173.6842 39 V 3.7775 8.1313 121.2285 62.2195 32.0728 174.9846 40 P 4.6126 0.0000 0.0000 63.5551 31.1885 175.3099 41 F 4.9688 7.1589 112.9901 55.9060 40.9943 173.2602 42 V 4.8188 8.3518 120.8273 61.7199 33.4812 174.0995 43 H 5.1828 8.9212 121.1403 54.7642 32.4632 172.0862 44 S 5.4452 8.3610 112.8418 55.9772 66.2711 172.3716 45 H 5.0176 9.0590 115.7978 54.1065 32.1569 174.4523 46 K 4.2176 8.8634 121.7740 59.3100 32.2864 178.2200 47 Q 4.6012 7.8617 111.7341 55.5539 31.2981 173.6402 48 N 5.2014 8.1202 118.7284 52.1700 40.6179 174.1239 49 E 4.3822 9.3976 125.1914 55.8838 31.5471 174.7354 50 E 5.2669 8.9789 125.2708 54.4565 33.4149 174.2581 51 I 5.1760 8.9828 127.3986 59.9169 40.1504 173.9321 52 Y 5.0136 9.4616 125.5179 56.1570 40.7564 175.1430 53 G 2.5234 8.5457 110.2011 43.7586 0.0000 171.5911 54 I 4.5299 7.9405 127.8469 60.6923 37.5306 176.8556 55 L 4.2794 8.8155 128.8845 57.0572 42.5607 177.0147 56 S 4.3390 8.1445 111.3637 58.2288 66.4668 175.6883 57 G 4.0515 9.0630 107.7570 45.8732 0.0000 172.4706 58 K 4.7751 7.3580 117.6772 55.9234 36.4746 175.2191 59 G 3.8343 7.7103 107.2628 46.0382 0.0000 172.0680 60 F 5.3698 8.1119 120.0778 56.1980 44.3750 173.6839 61 I 4.8426 8.7935 120.1935 59.8470 41.6392 173.7332 62 T 4.8487 8.8913 126.5175 62.1178 70.5939 173.5984 63 I 4.6366 8.8419 127.9176 59.4665 39.6701 175.8683 64 D 4.5248 9.9417 130.1763 55.3965 38.7175 175.7745 65 G 3.9428 8.2003 105.7555 45.1551 0.0000 172.5712 66 E 4.5935 7.9453 122.0080 54.4135 31.2689 174.6300 67 K 4.8609 8.5804 126.6111 55.6894 34.4551 175.7033 68 I 4.5777 8.8774 125.7423 59.2799 39.6703 175.0796 69 E 4.7353 8.9284 126.1529 56.5001 30.3279 176.2019 70 L 5.1642 8.8279 122.6883 53.2534 46.1182 175.4873 71 Q 4.9222 9.0548 118.2283 54.4356 32.5282 173.6456 72 A 4.2029 7.9841 122.5109 54.5127 18.6269 178.4394 73 G 4.1201 8.8988 111.2307 44.9830 0.0000 173.4514 74 D 4.7953 7.9370 120.5769 53.7408 42.1811 175.5944 75 W 5.3473 8.7969 121.6218 54.9968 32.7435 174.6290 76 L 5.0084 9.4058 122.9558 53.0457 45.9068 175.1745 77 R 5.1566 8.6892 121.1622 54.7361 32.6728 175.0344 78 I 4.6905 8.9137 125.9898 59.2697 40.8242 175.1565 79 A 4.3855 8.6734 128.4444 51.2796 19.5447 176.0048 80 P 4.2887 0.0000 0.0000 66.1628 31.6217 178.8757 81 D 4.4796 8.3822 116.7335 56.4854 40.7547 177.0774 82 G 3.7258 8.1088 108.1217 46.3118 0.0000 172.8535 83 K 5.0121 9.3322 125.5724 55.2755 33.4649 176.0817 84 R 5.4971 8.3969 121.6048 53.7865 33.3568 175.0392 85 Q 4.2306 8.0442 117.8235 55.7596 31.8777 172.6261 86 I 4.7758 8.0379 127.6138 60.0384 40.5140 174.1257 87 S 4.9853 8.7734 119.8480 57.0572 66.6378 173.5053 88 A 4.7393 8.9208 123.7998 51.0715 19.6438 177.1655 89 A 4.2833 8.2544 121.7165 51.5306 19.2556 179.0942 90 S 4.1230 8.7926 114.3743 60.6261 62.5915 174.7506 91 D 4.9479 7.7313 116.9993 52.3836 39.1843 175.1817 92 S 4.6835 7.2692 111.9202 57.2026 66.0151 172.8156 93 P 4.7067 0.0000 0.0000 62.5102 33.6200 174.2989 94 I 5.0093 8.7614 118.9548 59.4446 41.7468 173.6229 95 G 4.5892 9.1513 116.2311 44.4332 0.0000 171.8866 96 F 5.4723 8.6392 118.6214 55.6572 42.1319 172.8719 97 L 5.1384 9.1247 119.4178 53.1740 44.8431 175.7874 98 C 4.5683 8.6728 119.7696 58.0597 31.2968 172.9933 99 I 4.7133 8.7934 126.5618 59.8205 38.7651 174.7415 100 Q 5.0081 9.1459 129.6454 54.5231 30.9352 174.7315 101 V 4.8393 8.5649 118.7465 59.1333 37.0626 174.6243 102 K 4.7268 8.9073 124.6177 55.6637 33.0705 176.1779 103 A 4.1405 8.7108 131.6779 53.6520 18.7387 177.5744 104 G 3.9689 8.8433 109.7168 45.9146 0.0000 174.6444 105 S 4.2996 7.8127 114.2741 59.8536 63.6287 174.7647 106 L 4.2572 7.8449 123.2824 54.8999 44.0368 173.2758 107 E 4.4023 9.0572 122.7593 56.4769 29.6166 179.4232 108 G 3.9018 9.2484 111.3564 46.5037 0.0000 172.4727 109 Y 4.6977 8.4948 116.5865 57.1279 40.9608 175.5334 110 T 3.4072 8.6357 118.3612 66.0470 68.0071 173.9715 *112 T 4.3295 7.7116 107.6938 60.8324 70.0362 173.4412 113 D 4.6926 7.7772 119.2353 55.2657 46.1741 175.8213 114 G 3.8018 8.5396 108.3543 44.9673 0.0000 173.1989 115 V 4.2584 7.9629 120.3725 60.4453 33.7176 175.4360 116 V 3.6947 8.3971 127.4817 62.7191 32.0147 175.4370 117 Q 4.4196 8.3567 126.2298 54.1954 28.5504 175.6522 118 L 4.1773 8.2860 121.9593 54.8918 41.7279 177.4302 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 K 8.31 4.33 0.00 1.55 1.62 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.42 7.81 3 N 8.79 4.71 0.00 2.89 2.89 0.00 0.00 6.78 6.57 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 4 Y 8.03 4.86 0.00 3.08 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 5 Q 8.31 4.22 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 6 K 8.09 4.61 0.00 1.88 1.77 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.49 7.81 *8 S 8.26 4.24 0.00 3.93 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 9 V 8.05 4.30 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 0.78 0.00 0.00 0.91 0.00 0.00 10 A 8.40 4.15 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 11 Q 8.77 4.00 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.47 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 12 D 7.85 4.83 0.00 2.70 2.78 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 13 A 7.58 4.53 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 14 R 8.22 4.94 0.00 1.68 1.85 0.00 3.26 0.00 0.00 4.01 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 15 V 8.08 4.57 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 0.71 0.00 0.00 0.90 0.00 0.00 16 E 8.62 5.06 0.00 1.81 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 2.20 2.28 0.00 17 L 9.10 4.31 0.00 1.82 1.70 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.64 3.99 0.00 3.35 3.39 0.00 5.58 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 19 D 8.17 4.39 0.00 2.77 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 20 S 8.14 4.14 0.00 3.85 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 21 L 8.04 4.47 0.00 1.72 1.66 0.93 1.00 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 22 A 7.35 3.67 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 23 L 7.83 4.21 0.00 1.62 1.64 0.98 0.73 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 24 T 8.43 4.58 4.25 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 1.24 0.00 0.00 25 G 7.68 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 0.00 0.00 0.00 26 A 7.15 4.57 1.23 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 0.00 0.00 0.00 27 E 8.72 4.74 0.00 2.09 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 2.19 2.26 0.00 28 V 8.43 4.96 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 1.05 0.00 0.00 0.95 0.00 0.00 29 S 8.85 5.18 0.00 3.87 3.90 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 30 I 8.51 4.70 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.92 0.76 0.00 0.00 31 N 8.18 5.28 0.00 2.52 1.77 0.00 0.00 6.34 7.27 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 32 H 8.21 5.03 0.00 3.22 3.05 0.00 5.53 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.74 4.96 0.00 1.68 1.62 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.81 0.00 2.10 2.15 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 A 7.99 4.44 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 36 G 9.08 3.86 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 0.00 0.00 0.00 37 A 7.46 4.76 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 38 G 8.10 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 39 V 8.13 3.78 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 0.15 0.00 0.00 0.90 0.00 0.00 40 P 0.00 4.61 0.00 2.34 2.20 0.00 3.77 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 2.30 2.08 0.00 41 F 7.16 4.97 0.00 3.11 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 42 V 8.35 4.82 2.15 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 0.87 0.00 0.00 0.97 0.00 0.00 43 H 8.92 5.18 0.00 3.34 3.67 0.00 5.26 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.36 5.45 0.00 4.07 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 45 H 9.06 5.02 0.00 3.19 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.86 4.22 0.00 1.78 1.88 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 47 Q 7.86 4.60 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 48 N 8.12 5.20 0.00 2.61 2.71 0.00 0.00 6.75 7.66 0.00 0.00 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 E 9.40 4.38 0.00 2.02 1.95 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 2.33 2.29 0.00 50 E 8.98 5.27 0.00 2.14 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 0.00 2.24 2.38 0.00 51 I 8.98 5.18 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.57 1.25 0.00 0.00 52 Y 9.46 5.01 0.00 2.74 2.75 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 0.00 0.00 0.00 0.00 53 G 8.55 2.52 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 54 I 7.94 4.53 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.38 0.93 0.00 0.00 55 L 8.82 4.28 0.00 1.57 1.69 0.86 1.11 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 56 S 8.14 4.34 0.00 3.85 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 57 G 9.06 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.36 4.78 0.00 1.90 1.77 0.00 1.29 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.24 7.81 59 G 7.71 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 0.00 0.00 0.00 60 F 8.11 5.37 0.00 2.88 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 61 I 8.79 4.84 1.63 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.33 0.77 0.00 0.00 62 T 8.89 4.85 4.18 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 0.00 0.00 0.00 1.21 0.00 0.00 63 I 8.84 4.64 1.81 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 1.09 0.87 0.86 0.00 0.00 64 D 9.94 4.52 0.00 2.76 2.67 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 65 G 8.20 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 0.00 0.00 0.00 66 E 7.95 4.59 0.00 2.04 1.94 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 2.20 2.21 0.00 67 K 8.58 4.86 0.00 1.72 1.70 0.00 1.15 0.00 0.00 1.30 0.00 0.00 2.70 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.20 1.36 7.81 68 I 8.88 4.58 1.84 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 1.19 0.89 0.91 0.00 0.00 69 E 8.93 4.74 0.00 1.90 1.87 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 2.82 2.50 0.00 70 L 8.83 5.16 0.00 1.30 1.36 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.05 4.92 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 72 A 7.98 4.20 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 73 G 8.90 4.12 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 0.00 0.00 0.00 74 D 7.94 4.80 0.00 2.65 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 75 W 8.80 5.35 0.00 3.14 3.15 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 0.00 0.00 0.00 0.00 76 L 9.41 5.01 0.00 1.60 1.51 0.89 0.46 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 77 R 8.69 5.16 0.00 1.85 1.82 0.00 3.32 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 78 I 8.91 4.69 1.95 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.89 0.00 0.00 79 A 8.67 4.39 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 80 P 0.00 4.29 0.00 2.11 2.28 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 81 D 8.38 4.48 0.00 2.67 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 82 G 8.11 3.73 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 0.00 0.00 0.00 83 K 9.33 5.01 0.00 1.79 1.75 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.37 7.81 84 R 8.40 5.50 0.00 1.61 1.85 0.00 3.25 0.00 0.00 3.14 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.27 0.00 85 Q 8.04 4.23 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 86 I 8.04 4.78 1.49 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.14 0.64 0.00 0.00 87 S 8.77 4.99 0.00 4.04 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 88 A 8.92 4.74 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 89 A 8.25 4.28 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 90 S 8.79 4.12 0.00 3.91 3.97 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 91 D 7.73 4.95 0.00 2.79 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 92 S 7.27 4.68 0.00 3.86 3.64 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 93 P 0.00 4.71 0.00 2.17 2.18 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 94 I 8.76 5.01 2.08 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.75 1.03 0.00 0.00 95 G 9.15 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 0.00 0.00 0.00 0.00 96 F 8.64 5.47 0.00 3.06 3.02 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 97 L 9.12 5.14 0.00 1.39 1.53 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 98 C 8.67 4.57 0.00 2.68 2.53 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 99 I 8.79 4.71 1.93 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 1.17 0.79 0.94 0.00 0.00 100 Q 9.15 5.01 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 101 V 8.56 4.84 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 0.70 0.00 0.00 0.94 0.00 0.00 102 K 8.91 4.73 0.00 1.85 1.71 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.31 7.81 103 A 8.71 4.14 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 0.00 104 G 8.84 3.97 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 0.00 0.00 0.00 105 S 7.81 4.30 0.00 4.04 4.04 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 0.00 106 L 7.84 4.26 0.00 1.58 1.59 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 107 E 9.06 4.40 0.00 2.00 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 2.23 2.29 0.00 108 G 9.25 3.90 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 0.00 0.00 0.00 109 Y 8.49 4.70 0.00 3.00 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 0.00 110 T 8.64 3.41 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 1.22 0.00 0.00 *112 T 7.71 4.33 4.15 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 0.00 0.00 0.00 1.09 0.00 0.00 113 D 7.78 4.69 0.00 2.69 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 0.00 114 G 8.54 3.80 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 0.00 0.00 0.00 115 V 7.96 4.26 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 0.83 0.00 0.00 0.93 0.00 0.00 116 V 8.40 3.69 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 0.85 0.00 0.00 0.92 0.00 0.00 117 Q 8.36 4.42 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 118 L 8.29 4.18 0.00 1.63 1.57 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.