NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.7660 8.1233 122.5040 51.5484 21.3328 175.7022 12 S 5.1202 8.2920 112.7688 56.7148 65.4383 171.5510 13 L 5.0447 9.0496 122.5713 53.1830 46.3834 174.3652 14 Y 4.9946 9.1196 124.0787 56.2142 41.1544 174.9125 15 V 4.0875 7.9959 125.7549 59.8411 33.1687 175.0051 16 G 4.4708 7.7568 116.8292 44.4519 0.0000 170.2626 17 D 4.7017 8.6104 116.2068 55.3787 37.3735 174.4151 18 L 4.3069 8.1440 119.2679 53.9220 42.7761 176.4990 19 H 4.3225 8.7551 123.1988 55.3475 30.3620 174.1389 20 P 4.1706 0.0000 0.0000 65.6191 30.8216 176.4422 21 D 4.6878 8.3883 116.1825 53.7760 41.0449 176.2036 22 V 3.7044 7.8802 120.8933 62.6807 31.1421 176.5854 23 T 4.3338 8.1768 118.4912 60.9843 71.3545 175.2636 24 E 3.9847 8.6237 120.5871 59.1378 29.4961 179.5253 25 A 4.0352 7.9391 120.6880 55.4994 18.5507 179.3047 26 M 4.2001 7.8279 117.0759 58.5704 31.9356 178.9901 27 L 4.1267 7.7919 118.8374 57.9911 41.7273 178.7284 28 Y 4.1895 8.1936 119.4138 60.8779 38.4362 177.9992 29 E 3.9467 7.8810 117.6690 59.3318 29.7093 179.0493 30 K 3.8799 7.7034 117.7463 59.6421 32.5242 178.4384 31 F 4.4078 8.5578 117.9880 59.5055 39.0105 177.9572 32 S 4.0041 8.6590 115.6411 61.2803 62.1854 174.9568 33 P 4.4265 0.0000 0.0000 64.8206 31.0870 177.7181 34 A 4.2564 8.1420 118.5023 52.6018 18.6671 177.1717 35 G 4.3357 7.8031 104.2588 42.2762 0.0000 171.0071 36 P 4.4512 0.0000 0.0000 62.8882 31.7357 175.2695 37 I 4.4312 8.2143 122.8790 60.2857 38.4033 175.3918 38 L 4.3570 9.2074 129.9358 57.0478 42.2993 176.5747 39 S 4.6485 7.4440 110.6973 57.6310 66.2791 173.1140 40 I 4.9612 8.1417 120.6063 59.7287 40.4689 174.7427 41 R 4.7217 9.3406 127.6142 54.4113 33.3227 174.0090 42 V 4.2629 8.5377 126.2925 61.3847 32.6827 175.2167 43 C 4.3722 8.0005 126.1409 59.8964 29.1895 173.0525 44 R 5.0033 8.1428 119.6353 54.2692 34.0127 174.3066 45 D 4.3917 9.0060 121.1329 55.0358 41.9196 177.1206 46 M 4.0719 8.9728 124.5460 58.3515 32.4541 177.0492 47 I 4.2530 7.7510 109.4297 62.2596 39.4756 176.6683 48 T 3.9746 8.0056 110.0786 61.9780 68.9575 176.4069 49 R 4.0047 7.5239 117.7245 56.1458 29.2291 176.1674 50 R 3.8717 7.4705 118.4146 56.8405 30.7713 175.8125 51 S 4.4027 8.7808 120.3270 58.7657 63.1338 173.4755 52 L 4.4517 8.5945 123.8817 54.1205 42.3246 177.6708 53 G 3.9780 10.0861 108.0567 45.1755 0.0000 172.4035 54 Y 5.2063 7.2112 115.8535 57.1219 41.4927 172.6513 55 A 4.5366 7.8112 119.9286 51.3822 23.3726 174.2490 56 Y 5.1200 9.0777 117.0665 56.2662 40.9305 175.5246 57 V 4.4004 8.6262 123.9232 61.1875 34.1511 173.7316 58 N 5.2758 9.3806 126.8151 51.7728 40.3556 174.5618 59 F 4.8742 8.7259 122.8506 56.4018 40.6251 176.5363 60 Q 4.2081 9.0941 120.9096 59.1658 29.0881 176.8451 61 Q 4.5248 8.1227 118.4006 53.8595 30.1643 175.1612 62 P 4.4640 0.0000 0.0000 65.9617 31.2297 178.5018 63 A 4.1179 8.0434 120.0074 54.8765 18.2950 179.0319 64 D 4.1541 8.1501 117.5371 56.9862 40.8558 178.8011 65 A 2.9856 7.5667 120.9777 54.7405 18.4537 179.1094 66 E 3.7173 8.3400 117.6578 59.0462 29.5030 178.8958 67 R 3.9140 7.3101 118.0605 58.6213 30.0959 178.1631 68 A 3.9027 7.4317 120.7305 54.9225 17.9553 179.2377 69 L 3.7475 7.6947 118.8226 58.3242 42.0134 178.1824 70 D 4.5414 7.4499 113.7944 55.5789 41.2256 176.3438 71 T 4.3972 7.3919 113.1887 64.7192 70.6127 174.5318 72 M 5.1090 8.3433 118.3834 53.9515 32.7267 175.2544 73 N 4.1475 7.1513 117.5984 54.6472 39.4830 173.1926 74 F 4.8030 8.9001 125.7521 57.6257 38.1198 175.2018 75 D 4.4111 7.2613 119.4891 53.4603 39.3975 176.6190 76 V 3.9536 8.0766 121.0381 63.4075 32.5507 175.6908 77 I 4.2371 8.8590 124.4632 61.2603 40.7975 175.5621 78 K 3.7146 9.7650 127.2696 57.5334 29.3815 176.2843 79 G 4.0134 8.4570 103.9856 45.3465 0.0000 173.4668 80 K 4.7530 7.8045 118.5287 53.8441 36.1564 173.9181 81 P 4.9330 0.0000 0.0000 61.7461 32.5079 176.0012 82 V 4.2528 8.1204 115.6878 60.1674 34.0108 175.0018 83 R 4.8329 8.5179 125.0798 55.0217 31.5012 174.7572 84 I 5.1882 8.2679 127.7970 59.8253 39.7369 174.9872 85 M 4.7786 8.7210 122.1058 53.5151 35.0963 173.9908 86 W 4.6493 8.6947 119.8987 56.5749 29.9034 176.2896 87 S 4.3269 8.5173 119.5073 59.3889 61.9044 174.7293 88 Q 4.5291 8.5533 126.8040 55.0470 29.5779 174.6004 89 R 4.0055 8.3639 123.2117 58.1525 30.5923 176.6097 90 D 4.5475 7.3133 114.9960 52.7362 41.0344 174.5220 91 P 4.5130 0.0000 0.0000 63.3885 31.0137 177.6352 92 S 4.0208 7.8681 114.1854 62.4972 62.7827 175.8879 93 L 4.0542 7.8496 125.0623 56.7356 41.7598 178.8011 94 R 3.8788 7.9592 116.9138 59.5964 29.9369 178.8340 95 K 4.1661 8.3208 118.0431 58.3845 32.0993 177.2410 96 S 4.6173 7.9499 113.5597 59.8786 63.6933 176.8057 97 G 3.6005 8.0707 109.5053 48.0716 0.0000 176.8244 98 V 3.7614 8.3307 115.6550 64.6253 32.4392 179.4177 99 G 4.0575 8.0888 106.0973 45.2247 0.0000 171.6261 100 N 5.2425 7.9303 119.3470 51.9313 40.5634 174.0154 101 I 4.9694 8.4186 118.1487 59.1096 41.9237 173.5018 102 F 5.1309 9.5427 124.0674 56.4271 42.5609 173.8079 103 I 4.4397 7.5374 125.7506 59.4166 39.7546 174.2241 104 K 4.3571 8.2497 128.2896 55.2124 34.3129 173.2448 105 N 4.0244 8.9515 127.7417 53.7264 37.8601 173.1383 106 L 4.6992 8.0714 124.6359 53.3753 46.3215 176.8057 107 D 4.4604 8.6977 122.4182 53.9510 40.1710 179.2446 108 K 4.3617 8.8244 123.5957 55.3583 31.8847 176.1185 109 S 4.5386 7.9206 111.4161 59.1257 62.9628 173.9206 110 I 4.2235 7.2192 122.0541 60.2376 37.4776 175.9667 111 D 4.6348 8.1095 127.2214 53.7066 43.8941 176.1550 112 N 4.3092 8.2231 115.7097 56.0500 38.5366 177.7932 113 K 3.4667 7.2275 119.3974 59.3520 32.1173 178.5445 114 A 4.0194 7.9050 120.4106 55.1224 18.4035 178.7298 115 L 4.3538 7.9194 117.7783 58.7921 42.0768 178.5893 116 Y 4.1533 8.7243 119.7995 61.2839 38.4787 178.3059 117 D 4.5469 8.6294 119.8915 56.9694 41.0405 178.4217 118 T 3.9342 9.0151 113.9836 64.2268 67.6062 175.2039 119 F 5.1709 8.2376 117.8117 58.0634 40.1871 178.0017 120 S 3.9490 8.3005 115.7502 61.7265 62.3797 176.4313 121 A 3.8754 8.0522 121.5429 55.4058 17.9889 179.2321 122 F 4.2419 8.8848 115.6466 57.1809 39.1711 175.9981 123 G 4.3043 7.0815 109.0400 44.5840 0.0000 171.6072 124 N 4.5293 8.3220 117.2210 54.0679 39.5518 173.9114 125 I 4.7278 8.4296 117.3469 59.3543 38.8270 175.5157 126 L 4.2754 9.4212 128.5098 57.4244 41.9648 177.6469 127 S 4.8403 7.7282 111.9563 57.2392 65.7385 172.4865 128 C 5.3251 8.7068 120.4490 56.9510 32.7967 172.8620 129 K 5.3691 9.1979 120.4975 55.9504 36.0187 174.8933 130 V 4.5538 8.3735 125.2572 60.4583 32.8842 175.0991 131 V 3.6872 7.7424 128.2569 62.1892 31.3797 175.6331 132 C 4.7632 8.4322 121.4948 57.8591 31.6372 174.0295 *137 S 4.2098 8.3234 114.2815 56.7686 63.4733 174.0197 138 K 3.8053 9.4524 115.8090 57.8088 31.6590 173.6198 139 G 4.2401 9.3365 106.7304 45.3370 0.0000 172.5341 140 Y 5.1803 6.6975 115.6396 54.5441 42.0209 174.4420 141 G 3.6971 7.1272 104.7401 46.0389 0.0000 171.8978 142 F 5.5505 9.1063 117.5345 54.4889 43.9821 175.3644 143 V 4.4474 7.9232 119.5059 60.8072 34.2456 173.3887 144 H 4.8109 9.4755 128.2417 53.9820 30.5478 173.9861 145 F 5.0000 9.4104 126.2704 56.8167 39.7391 176.8377 146 E 4.1727 9.8632 124.9070 58.8256 30.2309 177.1767 147 T 4.7962 8.0295 114.8598 61.3732 71.8499 174.5651 148 Q 4.3003 8.5055 121.5891 58.0664 29.1628 178.2250 149 E 3.9219 8.0791 120.9163 59.5314 29.8092 178.6205 150 A 3.9934 7.9149 119.4938 54.2244 18.6320 179.3553 151 A 4.0008 7.3596 119.2288 55.2486 18.3510 179.6595 152 E 3.9909 7.9411 116.1118 59.3595 29.7027 179.1779 153 R 4.0257 7.7774 117.5070 59.0921 30.1332 178.1000 154 A 2.5800 7.3138 119.7766 53.6375 18.7372 177.7320 155 I 3.9319 7.5535 120.2448 61.5366 38.2367 176.0053 156 E 4.1518 8.9901 115.6598 57.0661 26.6930 174.1274 157 K 4.7402 7.8354 115.2753 56.7547 35.8877 179.0632 158 M 4.8072 7.6536 114.5734 56.7480 37.7226 174.6880 159 N 4.3443 7.9160 117.6452 53.2558 39.6942 174.8799 *170 V 4.6783 7.4730 122.7635 62.8399 31.7981 174.6601 171 G 4.0518 8.1131 113.1926 44.7519 0.0000 170.2034 172 R 4.1683 8.7275 120.1686 56.2048 30.7619 177.0573 173 F 4.5585 8.8182 122.2860 60.4101 39.8223 173.3684 174 K 3.6910 7.9202 124.6768 55.6190 31.7520 175.7987 175 S 3.8367 7.9285 114.0375 58.7083 62.7248 173.8979 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 11 A 8.12 4.77 1.49 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 0.00 0.00 0.00 12 S 8.29 5.12 0.00 4.02 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 13 L 9.05 5.04 0.00 1.45 1.40 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.12 4.99 0.00 3.10 3.01 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 15 V 8.00 4.09 1.82 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 0.41 0.00 0.00 0.92 0.00 0.00 16 G 7.76 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 4.70 0.00 2.89 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 18 L 8.14 4.31 0.00 1.71 1.56 0.92 0.92 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 19 H 8.76 4.32 0.00 3.17 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.17 0.00 2.18 2.16 0.00 3.25 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 21 D 8.39 4.69 0.00 2.71 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 22 V 7.88 3.70 2.16 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 0.77 0.00 0.00 0.98 0.00 0.00 23 T 8.18 4.33 4.23 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 1.25 0.00 0.00 24 E 8.62 3.98 0.00 2.00 2.01 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 2.40 2.33 0.00 25 A 7.94 4.04 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 26 M 7.83 4.20 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 27 L 7.79 4.13 0.00 1.89 1.77 0.85 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.19 4.19 0.00 3.03 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 29 E 7.88 3.95 0.00 2.22 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 2.40 2.67 0.00 30 K 7.70 3.88 0.00 1.65 1.85 0.00 1.48 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.05 0.87 7.81 31 F 8.56 4.41 0.00 3.11 3.19 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 32 S 8.66 4.00 0.00 3.22 3.10 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 0.00 0.00 0.00 0.00 33 P 0.00 4.43 0.00 1.96 2.11 0.00 3.57 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 34 A 8.14 4.26 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.80 4.34 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 0.00 36 P 0.00 4.45 0.00 2.46 2.28 0.00 3.94 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 2.19 2.06 0.00 37 I 8.21 4.43 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.72 0.87 0.00 0.00 38 L 9.21 4.36 0.00 1.62 1.74 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.44 4.65 0.00 3.85 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 40 I 8.14 4.96 1.83 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.97 0.89 0.00 0.00 41 R 9.34 4.72 0.00 1.82 1.84 0.00 3.16 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 42 V 8.54 4.26 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 0.70 0.00 0.00 0.87 0.00 0.00 43 C 8.00 4.37 0.00 1.98 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 44 R 8.14 5.00 0.00 1.59 1.97 0.00 3.38 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.73 0.00 45 D 9.01 4.39 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.97 4.07 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 47 I 7.75 4.25 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 1.47 1.07 0.91 0.00 0.00 48 T 8.01 3.97 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 1.26 0.00 0.00 49 R 7.52 4.00 0.00 2.02 2.09 0.00 3.35 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 50 R 7.47 3.87 0.00 1.92 1.84 0.00 3.10 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 51 S 8.78 4.40 0.00 3.88 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 52 L 8.59 4.45 0.00 1.42 1.79 0.99 1.28 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 53 G 10.09 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 54 Y 7.21 5.21 0.00 2.45 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 55 A 7.81 4.54 1.02 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 0.00 0.00 56 Y 9.08 5.12 0.00 2.88 2.83 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 57 V 8.63 4.40 1.56 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 0.24 0.00 0.00 0.26 0.00 0.00 58 N 9.38 5.28 0.00 2.83 2.73 0.00 0.00 6.53 8.52 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 59 F 8.73 4.87 0.00 2.99 3.11 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 60 Q 9.09 4.21 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 61 Q 8.12 4.52 0.00 2.44 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 62 P 0.00 4.46 0.00 2.34 2.40 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 63 A 8.04 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.15 4.15 0.00 2.71 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 65 A 7.57 2.99 1.50 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 0.00 0.00 66 E 8.34 3.72 0.00 2.49 2.23 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 2.39 2.57 0.00 67 R 7.31 3.91 0.00 1.97 1.93 0.00 3.09 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 68 A 7.43 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.69 3.75 0.00 1.36 1.34 0.24 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.45 4.54 0.00 2.71 2.64 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 71 T 7.39 4.40 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 72 M 8.34 5.11 0.00 1.61 1.92 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.11 0.00 73 N 7.15 4.15 0.00 2.53 1.66 0.00 0.00 7.31 6.90 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 74 F 8.90 4.80 0.00 3.27 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 75 D 7.26 4.41 0.00 3.05 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 76 V 8.08 3.95 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 0.85 0.00 0.00 0.94 0.00 0.00 77 I 8.86 4.24 1.88 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 1.27 0.73 0.91 0.00 0.00 78 K 9.76 3.71 0.00 1.78 1.64 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.57 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.27 1.35 7.81 79 G 8.46 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 0.00 0.00 0.00 80 K 7.80 4.75 0.00 1.79 1.68 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.45 7.81 81 P 0.00 4.93 0.00 2.02 2.20 0.00 3.75 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 82 V 8.12 4.25 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 0.68 0.00 0.00 0.95 0.00 0.00 83 R 8.52 4.83 0.00 2.20 1.91 0.00 3.11 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 84 I 8.27 5.19 1.69 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.85 0.00 0.00 85 M 8.72 4.78 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 86 W 8.69 4.65 0.00 3.23 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 87 S 8.52 4.33 0.00 4.19 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 88 Q 8.55 4.53 0.00 2.14 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 89 R 8.36 4.01 0.00 1.86 2.03 0.00 3.12 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 90 D 7.31 4.55 0.00 2.62 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 91 P 0.00 4.51 0.00 2.26 2.19 0.00 3.77 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 92 S 7.87 4.02 0.00 4.07 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 93 L 7.85 4.05 0.00 1.69 1.65 0.84 1.19 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 94 R 7.96 3.88 0.00 1.94 1.88 0.00 3.02 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 95 K 8.32 4.17 0.00 1.70 1.85 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.47 7.81 96 S 7.95 4.62 0.00 4.04 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 97 G 8.07 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 3.76 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 0.93 0.00 0.00 1.00 0.00 0.00 99 G 8.09 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 0.00 0.00 0.00 100 N 7.93 5.24 0.00 2.32 2.64 0.00 0.00 6.74 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 0.00 101 I 8.42 4.97 1.94 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 1.30 0.62 1.06 0.00 0.00 102 F 9.54 5.13 0.00 3.23 3.11 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 0.00 103 I 7.54 4.44 1.59 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.76 0.94 0.00 0.00 104 K 8.25 4.36 0.00 1.73 1.67 0.00 1.98 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.34 1.53 7.81 105 N 8.95 4.02 0.00 2.87 2.79 0.00 0.00 6.82 7.78 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 0.00 106 L 8.07 4.70 0.00 1.76 1.47 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.70 4.46 0.00 2.60 2.55 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 0.00 108 K 8.82 4.36 0.00 1.77 1.75 0.00 1.66 0.00 0.00 2.41 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 0.96 7.81 109 S 7.92 4.54 0.00 3.96 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 0.00 110 I 7.22 4.22 1.92 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 1.29 0.75 0.91 0.00 0.00 111 D 8.11 4.63 0.00 2.75 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.22 4.31 0.00 1.91 2.38 0.00 0.00 6.87 7.15 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 0.00 113 K 7.23 3.47 0.00 1.65 1.79 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.13 7.81 114 A 7.90 4.02 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 0.00 115 L 7.92 4.35 0.00 1.90 1.91 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.72 4.15 0.00 3.27 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 0.00 117 D 8.63 4.55 0.00 2.94 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 0.00 118 T 9.02 3.93 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 1.54 0.00 0.00 119 F 8.24 5.17 0.00 3.26 3.63 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 0.00 120 S 8.30 3.95 0.00 3.81 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 0.00 121 A 8.05 3.88 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 0.00 122 F 8.88 4.24 0.00 2.48 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 0.00 123 G 7.08 4.30 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 0.00 124 N 8.32 4.53 0.00 2.90 2.93 0.00 0.00 6.42 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 0.00 125 I 8.43 4.73 1.65 0.00 0.00 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 1.28 0.78 0.83 0.00 0.00 126 L 9.42 4.28 0.00 1.61 1.72 0.98 0.85 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 0.00 127 S 7.73 4.84 0.00 3.85 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 0.00 128 C 8.71 5.33 0.00 3.02 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 0.00 129 K 9.20 5.37 0.00 1.87 1.77 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.29 7.81 130 V 8.37 4.55 2.01 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 0.86 0.00 0.00 0.92 0.00 0.00 131 V 7.74 3.69 1.91 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 -0.60 0.00 0.00 0.84 0.00 0.00 132 C 8.43 4.76 0.00 2.92 2.82 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 *137 S 8.32 4.21 0.00 3.86 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 0.00 138 K 9.45 3.81 0.00 1.87 1.90 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.21 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.75 1.57 7.81 139 G 9.34 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 0.00 140 Y 6.70 5.18 0.00 2.58 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 0.00 141 G 7.13 3.70 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 0.00 0.00 0.00 142 F 9.11 5.55 0.00 2.86 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 0.00 143 V 7.92 4.45 1.61 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 -0.13 0.00 0.00 -0.14 0.00 0.00 144 H 9.48 4.81 0.00 3.21 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.41 5.00 0.00 3.29 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 0.00 146 E 9.86 4.17 0.00 2.07 2.16 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 2.38 2.35 0.00 147 T 8.03 4.80 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 1.29 0.00 0.00 148 Q 8.51 4.30 0.00 2.33 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 149 E 8.08 3.92 0.00 2.04 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 2.41 2.39 0.00 150 A 7.91 3.99 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.36 4.00 1.64 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 0.00 0.00 152 E 7.94 3.99 0.00 1.99 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 2.37 2.61 0.00 153 R 7.78 4.03 0.00 2.18 2.05 0.00 3.59 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 154 A 7.31 2.58 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 0.00 155 I 7.55 3.93 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 1.00 0.00 0.00 156 E 8.99 4.15 0.00 2.06 1.82 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 2.15 1.85 0.00 157 K 7.84 4.74 0.00 1.69 1.65 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.27 7.81 158 M 7.65 4.81 0.00 1.91 2.16 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.35 0.00 159 N 7.92 4.34 0.00 2.69 2.73 0.00 0.00 6.92 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 *170 V 7.47 4.68 2.13 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 1.06 0.00 0.00 1.02 0.00 0.00 171 G 8.11 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 0.00 172 R 8.73 4.17 0.00 1.83 1.95 0.00 3.27 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 173 F 8.82 4.56 0.00 3.07 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 0.00 174 K 7.92 3.69 0.00 1.56 1.53 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.28 7.81 175 S 7.93 3.84 0.00 3.87 3.57 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 * Residues marked with a * may have inaccurate shift predictions.