NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5489 8.3349 115.3050 58.2180 63.4649 172.2760 3 L 4.7311 8.3543 124.4047 50.2735 45.7883 173.6689 4 P 4.5157 0.0000 0.0000 62.9565 32.8686 174.7662 5 D 4.5292 9.6781 114.7444 55.4688 39.6532 173.6274 6 G 3.8446 8.4220 101.1863 46.0176 0.0000 173.3942 7 F 5.4250 8.0382 117.5126 55.7120 42.8313 173.7811 8 Y 5.1862 8.5567 117.3307 56.1222 41.8038 173.3114 9 I 5.0478 8.3459 119.4131 59.4361 41.0308 174.0790 10 R 4.7499 8.2792 123.2303 54.2162 32.6949 177.8908 11 R 4.8258 8.3798 121.6586 55.2417 29.3938 178.0070 *13 E 4.2515 8.5538 126.2144 56.8535 30.8779 176.0770 14 E 4.1825 8.9305 119.6502 59.9699 29.5153 179.7241 15 G 3.9131 8.0762 104.6426 47.2026 0.0000 174.1564 16 D 4.5953 8.6742 120.2116 54.6564 40.9018 177.4709 17 L 2.8640 7.1783 121.0504 58.3574 41.8700 178.3517 18 E 3.8398 8.0136 117.2214 59.9818 29.4883 179.4851 19 Q 4.1507 8.1307 117.5375 58.9170 28.7135 179.3328 20 V 3.6166 7.9384 119.5688 66.2029 31.5269 178.2321 21 T 3.8406 7.9314 109.6647 64.7453 68.2372 176.0236 22 E 3.8921 8.0202 121.3356 59.3398 29.9029 178.4035 23 T 4.1084 8.1539 112.7228 64.5034 67.3677 176.3047 24 L 4.1106 8.2361 120.9623 57.1458 41.3009 179.1882 25 K 4.4078 7.8254 120.1738 58.8150 31.6726 179.2453 26 V 3.5362 7.4318 117.9205 65.1908 31.3766 177.3856 27 L 4.2437 7.8143 119.7847 58.9220 42.9735 175.5465 28 T 4.1917 7.3857 112.6406 62.5475 71.3664 171.0573 29 T 4.5478 8.6466 117.3260 63.1109 69.5148 174.6215 30 V 3.9733 8.5535 119.2895 61.0792 33.1232 177.2022 31 G 3.8220 7.9299 106.7779 44.6372 0.0000 171.9944 32 T 4.1842 8.1869 115.2532 63.0725 69.0755 174.7047 33 I 4.5262 7.9852 126.5308 59.0143 40.8362 175.4255 34 T 4.2637 8.0275 116.9543 60.5035 71.1362 173.8793 35 P 4.2617 0.0000 0.0000 66.1341 31.4114 178.8497 36 E 3.9822 8.1175 116.9705 59.1896 29.6089 178.8909 37 S 4.0568 7.8411 113.8509 61.6427 62.8212 176.0428 38 F 3.8585 8.2582 124.9534 61.1463 38.9568 176.9934 39 C 3.7929 8.1056 115.7215 62.6096 27.8157 176.4008 40 K 3.8852 7.8826 119.8986 59.1122 31.5745 178.9906 41 L 3.5552 7.9336 120.9140 58.3075 41.9793 179.2214 42 I 3.3765 7.7582 120.4593 64.1360 36.6500 178.5851 43 K 4.0854 8.1503 119.5202 58.9382 31.7504 178.9157 44 Y 4.2271 8.0429 120.2638 60.7015 38.6393 177.9047 45 W 3.9769 8.0154 118.4651 59.2235 29.1401 177.3324 46 N 4.7287 7.8961 114.1124 53.9474 38.5191 175.9211 47 E 4.6180 7.5351 118.5305 55.8660 31.1589 176.1510 48 A 4.0703 7.8111 122.5160 52.9201 18.6185 176.5980 49 T 4.8780 8.3765 119.1133 61.8881 72.0213 173.8406 50 V 4.2247 8.4961 125.2882 60.7212 32.6387 175.4697 51 W 4.3323 9.0750 135.0000 57.9728 31.1289 173.0173 52 N 3.7733 8.1533 121.4168 52.8315 37.0541 176.0007 *56 D 4.4300 8.9264 111.5081 53.9860 42.1369 173.9494 57 K 4.6321 7.7553 117.5365 54.4553 36.2576 176.3779 58 K 4.3973 8.6376 123.0687 54.8680 33.6521 175.4758 59 I 3.8514 7.6711 128.1154 59.5662 40.1681 175.0778 *61 Q 4.0980 8.5010 117.4628 56.1616 31.1351 175.1110 62 Y 4.4527 7.8878 114.7063 56.0204 39.5520 176.3912 63 N 5.1153 8.7119 120.5206 50.9274 38.7334 171.8553 64 P 4.4642 0.0000 0.0000 62.2256 34.0518 176.6849 *66 V 4.1193 8.1173 113.3209 61.5186 33.6246 174.2745 67 I 4.5203 8.5725 125.7024 59.8927 39.0919 174.8045 68 V 4.5571 8.4322 127.0586 60.7353 34.6329 174.0270 69 D 4.1541 9.0537 127.9923 53.5373 40.2490 176.5921 70 K 4.0814 8.8328 129.2403 59.7065 32.7783 179.0332 71 R 4.0963 8.1240 118.9742 59.2239 30.0512 177.6996 72 T 4.5763 7.2205 100.5805 60.5163 70.2181 173.5694 73 E 3.8905 7.8488 119.0329 58.3284 27.8346 174.7791 74 T 4.6448 7.2895 107.3802 59.5954 72.0421 174.7946 75 V 4.0105 8.4382 124.9655 63.2873 31.6310 175.2644 76 A 4.0445 9.0017 129.9828 52.5597 20.4881 176.1323 77 A 4.7014 7.2661 114.5647 51.9363 22.3312 175.1617 78 T 4.8493 8.5104 113.7473 60.9395 71.4233 172.8447 79 G 4.4778 8.2248 110.4356 45.4065 0.0000 171.8958 80 N 5.4017 8.8324 119.0675 50.3675 43.1393 172.9923 81 I 4.8826 8.0325 122.4797 59.4720 40.9472 174.0645 82 I 4.3762 8.6883 130.8232 60.0023 39.1022 174.6319 83 I 4.7421 8.4708 128.0294 59.6887 38.7021 174.7996 84 E 4.6912 8.9956 127.2692 54.2916 32.9321 174.1448 85 R 4.9573 8.6465 126.1668 55.0651 31.9110 175.2878 86 K 4.7660 9.4342 126.8046 55.2827 35.4482 176.1898 87 I 4.0542 8.3121 119.2198 63.3602 38.4936 176.5739 88 I 4.0400 7.5582 112.6671 61.4750 38.0680 174.5232 89 H 3.8179 8.9434 114.4806 57.3794 26.0736 174.6691 90 E 3.6733 8.7808 111.0876 57.7398 27.0700 174.7506 91 L 4.4086 7.7320 110.6082 55.5003 39.7831 175.4596 92 G 4.0363 8.1733 105.5734 46.3698 0.0000 173.0279 93 L 5.3656 8.6030 119.1730 52.9660 44.5916 175.3835 94 C 4.9019 9.1944 123.6696 57.4465 34.5475 173.0683 95 G 4.2435 8.7086 113.4426 45.6103 0.0000 172.4828 96 H 5.2381 9.0281 119.3463 53.6412 32.0846 172.8454 97 I 4.4507 8.6404 126.0281 61.0178 37.6857 175.6847 98 E 4.6067 9.0362 125.8092 53.9847 33.8923 174.9928 99 D 4.5955 8.2957 118.3688 55.5422 38.3465 173.8811 100 I 4.5604 7.4134 117.9093 60.8027 38.7244 177.5048 101 A 4.5640 9.1639 129.0068 50.6438 22.7063 174.7176 102 V 4.3809 8.2705 123.0633 61.0322 33.1606 175.2536 103 N 4.5917 9.1471 127.5221 53.5824 39.5910 175.8404 104 S 4.1402 8.9079 119.2857 61.5128 63.0441 175.4419 105 K 4.1664 8.1228 116.8780 57.0455 31.6724 176.7467 106 Y 4.8102 7.8038 115.5420 56.6119 38.8577 175.7891 107 Q 4.2606 7.9919 119.0902 56.7827 29.3290 176.1909 108 G 3.8923 8.5707 106.5428 46.6986 0.0000 174.2007 109 Q 4.3447 7.7462 116.6037 55.2242 29.0614 177.2741 110 G 4.0946 8.1068 106.6469 45.8147 0.0000 175.6944 111 L 3.9741 7.6709 120.7896 57.2164 41.5186 179.3367 112 G 3.6196 8.0028 105.5130 47.8258 0.0000 175.5422 113 K 4.0354 8.1693 121.9809 58.9941 32.2740 178.7497 114 L 3.9685 7.6845 119.4594 57.4805 41.5217 179.1584 115 L 3.9184 8.3801 120.6697 58.1974 41.9907 179.0528 116 I 3.7382 7.7706 119.6115 64.6299 37.1265 177.9325 117 D 4.3706 8.1911 119.6167 57.7720 40.5803 179.1993 118 Q 3.9860 8.2346 118.2588 58.8043 28.5897 178.8229 119 L 3.8794 7.9157 120.0361 57.6410 41.6955 179.5921 120 V 3.1697 7.8595 118.2773 66.2335 31.4493 178.0066 121 T 3.8087 7.7180 115.2318 66.8212 68.1734 176.5869 122 I 3.5132 7.8729 121.8002 64.0496 37.0787 178.7431 123 G 3.5587 8.0113 106.7768 48.0300 0.0000 175.8754 124 F 4.6699 8.4298 121.1911 60.2331 38.6125 177.5926 125 D 4.4332 8.0528 118.0094 57.5084 40.6353 178.1115 126 Y 4.6279 7.5714 116.6691 59.4505 37.8090 176.8617 127 G 4.2567 7.8260 107.9063 45.4412 0.0000 173.6486 128 C 4.4990 7.9280 117.2031 59.9176 28.4533 173.7014 129 Y 4.3672 8.3334 121.6564 58.1904 38.5477 175.2104 130 K 4.5345 6.6401 117.9059 56.2042 35.6603 174.1749 131 I 5.0137 8.2444 121.3739 59.5427 40.4849 174.7430 132 I 4.9235 8.5259 119.7927 59.3601 41.1875 173.9815 133 L 4.6402 8.0716 120.8659 55.3022 42.7996 173.7485 134 D 4.9239 8.4157 119.4907 52.8099 43.2749 175.2942 135 C 4.7143 7.9935 115.7144 57.2108 32.8760 172.8235 136 D 4.7605 8.3510 118.9543 53.1546 41.9150 177.3962 137 E 3.9498 8.8964 122.1496 59.5637 29.3073 179.4228 138 K 4.0449 8.1313 116.8395 59.1890 32.7730 177.5543 139 N 4.8711 8.0807 116.5443 53.0560 38.6181 176.6004 140 V 3.7440 7.8542 121.9326 66.0023 31.8741 177.8207 141 K 4.4124 8.0596 118.9875 58.9202 32.0150 178.4482 142 F 4.0912 8.3305 120.1549 61.9859 39.1803 176.7894 143 Y 3.9497 8.0672 115.2191 60.3669 37.4449 178.0878 144 E 4.7000 8.2000 121.5757 58.7606 29.3314 179.2513 145 K 4.0172 7.5799 117.2764 58.9180 32.1273 178.1559 146 C 4.4297 7.5293 114.4928 59.5511 28.3689 174.1505 147 G 3.9196 8.0371 109.2657 45.2811 0.0000 173.9483 148 F 4.4297 8.7112 119.0466 56.6023 40.0757 174.9045 149 S 4.9937 8.1797 117.2547 56.2788 66.3338 173.8434 150 N 4.4604 8.7260 121.2796 53.9789 39.1445 174.6229 151 A 4.7038 8.7572 124.6751 50.6263 21.3498 176.2595 152 G 3.9847 6.2344 101.6647 45.8967 0.0000 172.0026 153 V 4.3387 8.1495 118.8886 60.9727 34.2662 176.0697 154 E 4.2893 8.4315 127.1024 54.7294 31.3088 174.6557 *156 Q 4.1452 8.0904 117.0395 56.1081 29.4930 174.5579 157 I 4.4473 7.9635 118.2793 59.9607 40.8163 174.9597 158 R 4.2367 8.6449 125.7046 56.3913 30.1378 176.1308 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 8.33 4.55 0.00 3.87 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 3 L 8.35 4.73 0.00 1.88 1.58 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.52 0.00 2.28 2.24 0.00 3.88 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 2.10 1.97 0.00 5 D 9.68 4.53 0.00 2.88 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 6 G 8.42 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 0.00 0.00 0.00 7 F 8.04 5.42 0.00 2.96 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 8 Y 8.56 5.19 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 9 I 8.35 5.05 1.86 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 1.39 1.08 0.94 0.00 0.00 10 R 8.28 4.75 0.00 1.92 2.09 0.00 3.26 0.00 0.00 3.53 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 11 R 8.38 4.83 0.00 1.88 1.54 0.00 3.33 0.00 0.00 3.93 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 *13 E 8.55 4.25 0.00 2.14 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 2.36 2.59 0.00 14 E 8.93 4.18 0.00 2.10 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 0.00 2.40 2.37 0.00 15 G 8.08 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 0.00 0.00 0.00 16 D 8.67 4.60 0.00 2.97 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 17 L 7.18 2.86 0.00 0.76 1.34 0.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.01 3.84 0.00 2.05 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 2.37 2.41 0.00 19 Q 8.13 4.15 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 20 V 7.94 3.62 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 1.26 0.00 0.00 1.05 0.00 0.00 21 T 7.93 3.84 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 1.17 0.00 0.00 22 E 8.02 3.89 0.00 1.99 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 0.00 2.34 2.32 0.00 23 T 8.15 4.11 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 1.28 0.00 0.00 24 L 8.24 4.11 0.00 1.95 1.74 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.83 4.41 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 26 V 7.43 3.54 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 0.78 0.00 0.00 0.94 0.00 0.00 27 L 7.81 4.24 0.00 1.65 1.94 0.99 0.86 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 28 T 7.39 4.19 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 1.24 0.00 0.00 29 T 8.65 4.55 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 1.22 0.00 0.00 30 V 8.55 3.97 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 0.73 0.00 0.00 0.93 0.00 0.00 31 G 7.93 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 0.00 0.00 0.00 32 T 8.19 4.18 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 33 I 7.99 4.53 1.82 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 1.48 0.69 0.99 0.00 0.00 34 T 8.03 4.26 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 35 P 0.00 4.26 0.00 2.18 2.19 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 36 E 8.12 3.98 0.00 2.01 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 2.40 2.37 0.00 37 S 7.84 4.06 0.00 4.06 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 38 F 8.26 3.86 0.00 3.10 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 39 C 8.11 3.79 0.00 3.17 2.95 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 40 K 7.88 3.89 0.00 1.97 1.76 0.00 1.76 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.40 7.81 41 L 7.93 3.56 0.00 1.28 1.16 0.29 0.16 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 42 I 7.76 3.38 1.61 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.64 0.86 0.00 0.00 43 K 8.15 4.09 0.00 1.80 2.04 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.57 7.81 44 Y 8.04 4.23 0.00 2.89 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 45 W 8.02 3.98 0.00 3.25 2.97 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 46 N 7.90 4.73 0.00 2.81 2.89 0.00 0.00 6.87 7.62 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 47 E 7.54 4.62 0.00 2.09 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 2.29 2.32 0.00 48 A 7.81 4.07 1.15 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 0.00 0.00 49 T 8.38 4.88 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 1.23 0.00 0.00 50 V 8.50 4.22 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 0.66 0.00 0.00 0.83 0.00 0.00 51 W 9.07 4.33 0.00 3.37 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 52 N 8.15 3.77 0.00 2.49 1.77 0.00 0.00 6.13 8.06 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 *56 D 8.93 4.43 0.00 2.66 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 57 K 7.76 4.63 0.00 1.90 1.65 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.27 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.32 7.81 58 K 8.64 4.40 0.00 1.70 1.72 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.43 7.81 59 I 7.67 3.85 1.74 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.44 0.03 0.00 0.00 *61 Q 8.50 4.10 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 62 Y 7.89 4.45 0.00 2.33 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 0.00 0.00 0.00 63 N 8.71 5.12 0.00 2.77 2.68 0.00 0.00 6.48 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 64 P 0.00 4.46 0.00 2.25 1.75 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 *66 V 8.12 4.12 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 0.96 0.00 0.00 0.95 0.00 0.00 67 I 8.57 4.52 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.58 0.87 0.00 0.00 68 V 8.43 4.56 1.04 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 0.96 0.00 0.00 0.62 0.00 0.00 69 D 9.05 4.15 0.00 2.45 2.45 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 0.00 0.00 0.00 0.00 70 K 8.83 4.08 0.00 2.09 1.97 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.48 7.81 71 R 8.12 4.10 0.00 1.86 1.97 0.00 3.25 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 72 T 7.22 4.58 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 1.22 0.00 0.00 73 E 7.85 3.89 0.00 2.13 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 2.32 2.42 0.00 74 T 7.29 4.64 4.31 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 1.31 0.00 0.00 75 V 8.44 4.01 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 0.77 0.00 0.00 0.91 0.00 0.00 76 A 9.00 4.04 0.42 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 0.00 0.00 77 A 7.27 4.70 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 78 T 8.51 4.85 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 1.26 0.00 0.00 79 G 8.22 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 80 N 8.83 5.40 0.00 2.66 2.51 0.00 0.00 6.48 7.25 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 81 I 8.03 4.88 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.03 0.91 0.00 0.00 82 I 8.69 4.38 1.70 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 0.45 0.00 0.00 83 I 8.47 4.74 1.71 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 1.10 0.76 0.79 0.00 0.00 84 E 9.00 4.69 0.00 2.00 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 2.23 2.23 0.00 85 R 8.65 4.96 0.00 1.91 1.92 0.00 3.64 0.00 0.00 3.56 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 86 K 9.43 4.77 0.00 1.80 1.80 0.00 1.94 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.52 7.81 87 I 8.31 4.05 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.93 0.00 0.00 88 I 7.56 4.04 1.83 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.92 0.00 0.00 89 H 8.94 3.82 0.00 2.80 2.90 0.00 5.85 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.78 3.67 0.00 2.05 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 2.19 2.33 0.00 91 L 7.73 4.41 0.00 1.86 1.92 1.14 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.17 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 0.00 0.00 0.00 93 L 8.60 5.37 0.00 1.65 1.58 0.90 0.60 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 94 C 9.19 4.90 0.00 2.78 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 95 G 8.71 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 0.00 0.00 0.00 0.00 96 H 9.03 5.24 0.00 2.93 3.14 0.00 5.61 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 97 I 8.64 4.45 1.76 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 1.19 0.43 0.85 0.00 0.00 98 E 9.04 4.61 0.00 1.79 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 2.35 2.37 0.00 99 D 8.30 4.60 0.00 2.84 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 0.00 100 I 7.41 4.56 1.95 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 1.33 0.90 0.95 0.00 0.00 101 A 9.16 4.56 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 0.00 102 V 8.27 4.38 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 0.78 0.00 0.00 0.85 0.00 0.00 103 N 9.15 4.59 0.00 2.87 2.97 0.00 0.00 6.59 7.38 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 0.00 104 S 8.91 4.14 0.00 4.01 4.01 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 0.00 0.00 0.00 105 K 8.12 4.17 0.00 1.50 1.64 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.40 7.81 106 Y 7.80 4.81 0.00 3.22 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 0.00 107 Q 7.99 4.26 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 108 G 8.57 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 0.00 109 Q 7.75 4.34 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.51 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 110 G 8.11 4.09 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 0.00 111 L 7.67 3.97 0.00 1.57 1.52 0.55 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.00 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 0.00 113 K 8.17 4.04 0.00 1.86 1.85 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 114 L 7.68 3.97 0.00 1.78 1.66 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.38 3.92 0.00 1.74 1.84 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.77 3.74 1.90 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 1.92 0.87 1.06 0.00 0.00 117 D 8.19 4.37 0.00 2.90 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 0.00 118 Q 8.23 3.99 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 119 L 7.92 3.88 0.00 1.83 1.66 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.86 3.17 2.11 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 0.37 0.00 0.00 0.90 0.00 0.00 121 T 7.72 3.81 4.40 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 1.16 0.00 0.00 122 I 7.87 3.51 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 0.52 0.00 0.00 123 G 8.01 3.56 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 0.00 0.00 0.00 124 F 8.43 4.67 0.00 2.95 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 0.00 125 D 8.05 4.43 0.00 2.61 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 0.00 126 Y 7.57 4.63 0.00 3.14 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 0.00 127 G 7.83 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 0.00 0.00 0.00 0.00 128 C 7.93 4.50 0.00 3.20 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 0.00 129 Y 8.33 4.37 0.00 2.99 3.03 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 0.00 130 K 6.64 4.53 0.00 1.64 1.61 0.00 1.36 0.00 0.00 1.77 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 1.04 7.81 131 I 8.24 5.01 1.62 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 1.24 0.58 0.88 0.00 0.00 132 I 8.53 4.92 1.85 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 1.26 1.28 0.86 0.00 0.00 133 L 8.07 4.64 0.00 1.29 1.40 -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.42 4.92 0.00 2.61 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 0.00 135 C 7.99 4.71 0.00 3.16 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 0.00 136 D 8.35 4.76 0.00 2.76 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 0.00 137 E 8.90 3.95 0.00 2.01 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 2.40 2.34 0.00 138 K 8.13 4.04 0.00 1.95 1.95 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.52 7.81 139 N 8.08 4.87 0.00 2.96 3.02 0.00 0.00 6.45 8.01 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 0.00 140 V 7.85 3.74 2.25 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 0.93 0.00 0.00 1.04 0.00 0.00 141 K 8.06 4.41 0.00 1.86 1.89 0.00 2.26 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.34 7.81 142 F 8.33 4.09 0.00 2.96 3.03 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 0.00 143 Y 8.07 3.95 0.00 3.12 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 0.00 144 E 8.20 4.70 0.00 2.24 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 2.40 2.61 0.00 145 K 7.58 4.02 0.00 1.70 1.76 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.45 7.81 146 C 7.53 4.43 0.00 3.15 3.05 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 0.00 147 G 8.04 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 0.00 148 F 8.71 4.43 0.00 3.25 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 0.00 149 S 8.18 4.99 0.00 3.82 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 0.00 150 N 8.73 4.46 0.00 2.71 2.75 0.00 0.00 6.72 7.96 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 0.00 151 A 8.76 4.70 1.26 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 0.00 0.00 0.00 152 G 6.23 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 0.00 0.00 0.00 153 V 8.15 4.34 2.09 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 0.85 0.00 0.00 0.94 0.00 0.00 154 E 8.43 4.29 0.00 2.11 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 2.24 2.52 0.00 *156 Q 8.09 4.15 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.46 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 157 I 7.96 4.45 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 1.42 0.80 0.92 0.00 0.00 158 R 8.64 4.24 0.00 1.84 1.82 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.