NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3870 8.1133 119.6286 56.0402 32.3768 173.7894 3 L 5.1937 8.3826 119.9628 52.1525 45.9240 173.4871 4 L 4.9357 9.0734 126.1300 53.4148 44.6567 174.6240 5 A 5.0136 8.6849 128.7690 51.0291 20.3247 175.9635 6 V 4.4472 8.3377 122.5687 60.8445 34.3249 174.6658 7 F 5.3361 8.1739 126.0089 55.9270 41.3146 175.0028 8 V 4.6388 8.4077 120.7742 60.3325 34.0780 172.8200 9 S 4.2971 8.6716 116.7047 59.5117 62.6074 175.1801 10 S 4.5262 8.9929 120.1629 58.8370 63.7493 174.7123 11 R 4.3802 7.5016 116.5398 55.5211 30.2206 176.3060 12 L 3.9291 7.9086 121.9174 55.8690 42.5801 175.8748 13 S 4.7002 8.5249 120.1604 56.9032 63.2484 173.0148 14 P 2.9700 0.0000 0.0000 64.2858 31.0888 177.1068 15 E 4.2029 7.3995 116.4867 56.6845 30.2752 176.1526 16 D 4.4244 7.8738 120.4041 53.1373 41.8995 175.1372 17 P 4.1864 0.0000 0.0000 65.7821 31.1642 178.8629 18 L 3.0750 8.2216 117.9830 57.1733 41.3214 178.7275 19 Y 3.7029 7.6293 119.4731 60.7028 38.8072 178.2417 20 A 4.0566 7.8976 121.0055 55.1392 18.5097 179.6820 21 R 3.6986 7.1441 116.7901 59.1412 30.0385 179.3411 22 W 4.4188 7.7081 118.8850 59.4007 28.9246 178.8665 23 V 3.7268 7.7276 118.5765 66.0011 30.8881 178.0271 24 R 3.9608 7.9414 118.2629 59.7217 29.4762 178.0374 25 Y 4.3835 8.4123 116.7572 61.0482 37.9598 178.8402 26 G 3.6975 8.2840 106.6748 47.7926 0.0000 175.5473 27 E 4.2683 8.1808 122.4632 58.5970 29.5115 179.6406 28 V 3.5926 8.1030 118.6450 65.9457 31.6394 178.0095 29 L 3.9508 8.2568 119.6218 58.8091 40.1125 179.1944 30 A 4.5998 7.9238 122.6425 54.5453 18.1141 179.4022 31 E 3.9743 8.2694 116.4132 59.4797 29.6269 178.6726 32 E 4.3805 8.1770 115.5980 56.6903 29.6396 177.6766 33 G 3.8479 8.2776 107.9062 45.1079 0.0000 173.3741 34 F 4.8147 8.4531 118.5358 55.9805 42.1238 175.0698 35 G 4.6097 8.9208 108.0276 44.6236 0.0000 171.6648 36 L 5.4396 9.1243 120.8706 52.9944 45.3986 175.0156 37 A 5.2646 8.7358 126.9208 50.3767 21.8978 175.0500 38 C 4.9640 8.9596 116.7850 57.0586 33.3868 175.1854 39 G 3.6678 8.8573 107.0680 46.5869 0.0000 174.8831 40 G 3.7964 8.1953 107.8555 45.7794 0.0000 172.7363 41 Y 5.2788 7.2554 117.2399 58.2098 38.0553 174.2327 42 Q 4.6065 8.7633 127.3302 57.2144 31.8691 176.3539 43 G 4.3258 8.8053 109.1906 47.5395 0.0000 177.2556 44 G 3.8601 9.0318 108.9509 44.9085 0.0000 174.5805 *46 E 4.2551 8.2991 121.4736 55.8511 32.1064 177.3145 47 A 3.4831 7.7548 120.3509 54.8471 18.2040 179.4883 48 L 4.0116 8.0047 117.4404 58.0417 41.7261 179.6572 49 A 3.9847 7.9333 120.0624 55.1596 18.3381 179.4202 50 R 2.7456 8.0156 117.4781 59.1153 29.8784 179.0678 51 G 3.5115 7.8142 105.3140 47.7075 0.0000 175.8881 52 V 3.7686 7.9334 120.8221 65.8034 31.6866 178.3544 53 K 4.1286 8.3350 118.0043 59.1267 31.6625 179.2050 54 A 4.1536 7.7914 120.4420 53.9327 18.1968 178.2249 55 K 4.3736 7.7796 114.8161 56.2272 32.6222 176.7688 56 G 3.8367 8.0643 105.5022 46.0126 0.0000 174.4808 57 G 4.0213 8.2470 107.6619 45.0985 0.0000 173.1308 58 L 5.0276 8.2962 121.0675 53.3495 44.7114 175.0172 59 V 4.8650 9.1174 124.7633 61.0971 34.7221 174.0732 60 V 4.7341 9.4349 128.5092 61.0366 34.1613 174.2525 61 G 4.1696 9.2211 115.7362 44.6733 0.0000 172.5425 62 V 5.0956 9.1060 128.3897 61.1702 31.5559 175.6380 63 T 4.3056 7.9823 118.2098 60.1000 71.6254 174.5528 64 A 5.5532 8.8666 120.2174 49.5783 20.0754 174.9598 65 P 4.4384 0.0000 0.0000 65.4992 31.8022 178.2890 66 A 3.9437 8.1906 117.1900 55.1421 18.2338 178.9735 67 F 4.0473 8.4018 114.9946 58.3370 40.6896 176.1865 68 F 5.4958 7.7006 115.5104 53.9288 38.9737 173.8594 69 P 4.3511 0.0000 0.0000 65.2612 32.0812 177.8846 70 E 4.1112 8.2531 114.3974 57.2174 29.9971 176.2289 71 R 4.3745 8.1443 121.2306 54.3858 29.5767 176.7909 72 R 3.9333 8.2035 120.7686 57.3019 29.5437 176.8664 73 G 4.0002 6.9006 102.7257 44.7270 0.0000 169.8277 74 P 4.5504 0.0000 0.0000 62.0286 32.1985 175.6438 75 N 4.6458 8.8400 117.1907 51.9919 37.7619 174.4899 76 P 4.1174 0.0000 0.0000 64.9014 31.3372 177.3410 77 F 4.6653 8.2925 115.5976 57.0164 39.2213 175.6476 78 V 4.0312 7.4869 121.8445 62.4493 32.1006 175.3495 79 D 4.6142 8.9505 127.8787 56.6166 41.6688 176.8036 80 L 4.7534 7.8281 118.0004 52.7685 44.7417 174.8708 81 E 4.8435 8.8336 124.8864 54.7783 31.5635 175.5110 82 L 4.8099 9.0514 129.0804 51.9106 42.9976 172.0919 83 P 5.0390 0.0000 0.0000 61.9124 32.0950 175.7344 84 A 5.0346 9.1165 125.6891 50.3226 21.2986 177.1533 85 A 4.4664 9.6456 123.5251 53.4359 19.8814 178.0522 86 T 5.1010 7.5071 105.2476 59.1282 73.3131 174.8360 87 L 3.7596 8.1359 121.3221 57.4454 41.6201 177.9806 88 P 4.1696 0.0000 0.0000 65.4487 31.2804 178.4459 89 Q 3.9351 8.0918 118.4984 59.0091 29.0097 178.0806 90 R 3.8921 8.0754 119.7446 59.6720 30.0573 178.5439 91 I 3.7276 7.9951 119.7690 64.3611 37.1059 178.6949 92 G 3.6201 8.4284 106.9008 47.7942 0.0000 176.0300 93 R 3.9889 8.1829 120.2597 59.1055 30.0033 178.9619 94 L 4.0927 8.0058 118.7923 57.9160 41.4189 179.6385 95 L 4.0330 7.9953 118.0063 57.9543 41.6628 179.0143 96 D 4.6200 8.1180 117.2180 56.5537 40.9002 178.2533 97 L 4.3221 7.9433 119.2289 55.6386 42.1709 177.2832 98 G 4.0747 7.4288 107.0126 44.2183 0.0000 173.6112 99 A 4.2082 8.8476 124.1911 53.4824 19.5030 177.3733 100 G 3.6941 7.1690 100.6205 45.6182 0.0000 171.9188 101 Y 5.4954 8.7853 117.5277 55.8917 42.4216 174.6853 102 L 4.8948 8.3185 123.0161 53.2759 45.7982 174.9048 103 A 5.0050 9.1162 128.8815 50.5089 20.3898 176.1586 104 L 4.5182 8.5498 122.1208 53.5083 43.6219 175.3802 105 P 3.0323 0.0000 0.0000 63.1327 32.1959 176.7103 106 G 4.4063 7.0153 109.4150 45.2739 0.0000 172.5609 107 G 4.3510 8.0523 106.7780 44.0013 0.0000 174.3122 108 V 3.8280 8.7167 118.4260 66.4020 30.9600 179.4093 109 G 3.6448 8.1256 104.8401 48.0505 0.0000 175.7584 110 T 4.2225 7.9115 118.9721 65.7170 68.6346 176.4679 111 L 3.3094 8.1863 122.1538 57.8056 42.1593 178.8413 112 A 3.9024 7.9150 120.6923 55.1515 17.8911 179.5563 113 E 3.3530 7.4285 116.1647 58.9631 29.2619 179.1193 114 L 3.8736 7.3042 120.2842 58.3393 42.0502 179.3627 115 V 3.8306 8.1049 118.2767 65.9269 31.3671 178.0007 116 L 3.9436 7.7359 118.2954 57.5751 41.2953 179.2743 117 A 3.9611 7.8945 120.8724 54.7782 18.2501 179.4734 118 W 4.3672 8.4500 127.1758 60.6469 30.8877 177.5657 119 N 4.1895 8.6508 117.4713 56.7497 38.1085 176.7772 120 L 4.0616 7.6201 118.6959 57.9279 41.9893 179.2253 121 L 4.2375 7.9329 119.0846 57.9773 41.3496 178.8340 122 Y 4.1207 8.4013 119.0670 60.7542 38.7113 178.0706 123 L 3.7097 7.8419 118.5437 55.2596 42.4273 177.0741 124 R 3.7860 7.8071 117.2690 57.9070 28.0208 176.4496 125 R 4.5154 7.5445 109.5997 55.8802 31.6364 176.7008 126 G 3.8763 8.3883 103.7883 46.4587 0.0000 174.4063 127 V 4.2570 7.6605 111.8446 59.9594 34.2730 177.1063 128 G 4.0471 9.1254 108.9784 45.8224 0.0000 172.4321 129 R 4.6982 8.5545 116.4683 54.0868 34.7797 173.2229 130 P 4.3887 0.0000 0.0000 63.5825 32.5952 175.2192 131 L 5.3718 8.8722 124.7799 53.3186 45.0556 174.6697 132 A 5.0218 8.8095 128.0923 50.1422 22.0336 175.4284 133 V 4.8539 8.5680 113.0049 59.2918 36.3373 174.8476 134 D 5.2770 9.1721 123.3569 52.9965 42.0149 175.4749 135 P 4.2929 0.0000 0.0000 66.0436 32.1196 177.6587 136 Y 4.0769 8.7251 119.0672 60.9326 38.4776 178.6853 137 W 4.3496 8.3410 119.0679 59.3147 28.9233 178.0330 138 L 4.4469 7.9212 117.7098 56.3325 41.1970 178.5965 139 G 3.7007 7.7767 104.6851 45.5888 0.0000 173.5820 140 L 4.4196 7.4653 120.1258 56.3661 43.8935 176.3252 141 L 4.4142 8.3390 120.6439 53.8068 41.3863 176.2764 142 K 4.6769 8.3133 121.4755 54.4907 35.8188 175.7544 143 A 4.2192 8.4609 122.3841 53.0728 18.8380 177.0864 144 H 4.4621 9.9294 119.6449 56.3099 34.0632 174.6696 145 G 4.0127 8.4537 117.7543 46.8978 0.0000 175.4609 146 E 4.0041 9.0139 124.6272 57.5316 29.6401 176.5400 147 I 3.9398 8.0445 121.4094 59.9097 36.7051 175.3854 148 A 4.6349 8.7016 129.1862 50.6362 19.5629 176.4709 149 P 4.3638 0.0000 0.0000 65.9578 31.0906 179.1109 150 E 4.0444 8.1970 115.9762 59.3670 29.6883 178.7645 151 D 4.7461 8.2446 119.1856 57.5416 40.9955 178.9105 152 V 3.9281 8.2205 118.4621 65.9156 31.3791 177.7830 153 G 3.8285 8.2998 104.2854 46.7240 0.0000 175.1023 154 L 4.3359 7.9412 120.4042 55.9111 41.8850 176.8857 155 L 4.2472 7.3310 119.8414 54.2639 42.2583 177.1320 156 R 4.4618 8.7810 123.1557 55.2481 32.3399 175.3741 157 V 4.6992 8.1563 121.1348 61.1842 33.7303 174.9710 158 V 4.3090 8.6342 127.2388 61.4276 33.2937 175.3879 159 A 4.7489 9.4218 131.1629 52.3189 20.6341 175.4179 160 D 4.9595 7.5699 115.7938 51.9062 43.3180 175.6553 161 E 3.7494 8.9152 118.2390 59.7456 29.3170 179.4834 162 E 3.9446 8.1844 117.9094 59.4508 29.5090 178.9279 163 D 4.3368 8.7872 119.3354 57.1669 40.8595 178.5215 164 L 3.7851 7.8079 120.7353 58.2297 42.0573 179.1641 165 R 3.8710 8.1095 118.1445 59.4578 29.7993 179.3097 166 R 3.9308 7.7995 116.4700 59.0305 30.3296 178.6322 167 F 4.3058 8.5028 120.7427 61.3553 39.5543 177.0701 168 L 3.4221 8.1793 118.9344 57.7897 41.2135 179.5872 169 R 4.1965 7.9164 115.8640 57.8387 30.1183 178.0163 170 S 4.4536 7.4741 112.8481 58.6533 63.6723 174.0750 171 L 3.9788 7.4044 127.4967 55.1186 41.3874 176.5363 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 R 8.11 4.39 0.00 1.33 1.95 0.00 3.00 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 3 L 8.38 5.19 0.00 1.84 1.57 0.96 0.18 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 4 L 9.07 4.94 0.00 1.49 1.42 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.68 5.01 1.47 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 6 V 8.34 4.45 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 0.65 0.00 0.00 0.80 0.00 0.00 7 F 8.17 5.34 0.00 2.98 2.93 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 8 V 8.41 4.64 1.88 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 0.57 0.00 0.00 0.79 0.00 0.00 9 S 8.67 4.30 0.00 4.06 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 10 S 8.99 4.53 0.00 3.99 3.99 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 11 R 7.50 4.38 0.00 1.92 2.11 0.00 3.13 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 12 L 7.91 3.93 0.00 1.87 1.87 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.52 4.70 0.00 3.87 3.66 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 0.00 0.00 0.00 0.00 14 P 0.00 2.97 0.00 1.72 1.32 0.00 3.53 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 1.79 1.57 0.00 15 E 7.40 4.20 0.00 1.80 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 2.23 2.19 0.00 16 D 7.87 4.42 0.00 2.66 2.59 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 17 P 0.00 4.19 0.00 2.04 1.98 0.00 3.55 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 18 L 8.22 3.07 0.00 1.39 0.71 0.86 0.48 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 19 Y 7.63 3.70 0.00 3.17 2.93 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 20 A 7.90 4.06 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 21 R 7.14 3.70 0.00 0.77 1.33 0.00 2.90 0.00 0.00 2.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 22 W 7.71 4.42 0.00 3.09 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 23 V 7.73 3.73 2.21 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 0.95 0.00 0.00 0.89 0.00 0.00 24 R 7.94 3.96 0.00 2.04 2.22 0.00 3.35 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 25 Y 8.41 4.38 0.00 3.24 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 26 G 8.28 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 27 E 8.18 4.27 0.00 2.27 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 2.43 2.36 0.00 28 V 8.10 3.59 2.19 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 0.99 0.00 0.00 1.03 0.00 0.00 29 L 8.26 3.95 0.00 1.86 1.84 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.92 4.60 1.44 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 0.00 0.00 0.00 31 E 8.27 3.97 0.00 2.14 2.05 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 2.36 2.58 0.00 32 E 8.18 4.38 0.00 2.26 2.19 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 2.56 2.47 0.00 33 G 8.28 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.45 4.81 0.00 3.13 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 35 G 8.92 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.12 5.44 0.00 1.70 1.50 0.95 1.15 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 37 A 8.74 5.26 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 38 C 8.96 4.96 0.00 2.98 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 39 G 8.86 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 0.00 0.00 0.00 40 G 8.20 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 41 Y 7.26 5.28 0.00 2.90 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 42 Q 8.76 4.61 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.12 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 43 G 8.81 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 0.00 0.00 0.00 0.00 44 G 9.03 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 *46 E 8.30 4.26 0.00 2.37 2.33 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 2.55 2.69 0.00 47 A 7.75 3.48 0.46 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 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.00 4.01 0.00 1.65 1.70 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.93 3.98 1.42 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 50 R 8.02 2.75 0.00 1.00 1.81 0.00 3.05 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.97 0.00 51 G 7.81 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 60 V 9.43 4.73 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 0.91 0.00 0.00 0.95 0.00 0.00 61 G 9.22 4.17 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 0.00 62 V 9.11 5.10 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 1.34 0.00 0.00 0.96 0.00 0.00 63 T 7.98 4.31 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 0.86 0.00 0.00 64 A 8.87 5.55 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 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.44 0.00 2.27 2.27 0.00 3.78 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 2.23 2.36 0.00 66 A 8.19 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.40 4.05 0.00 2.70 2.40 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 68 F 7.70 5.50 0.00 2.90 2.93 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 69 P 0.00 4.35 0.00 2.04 2.12 0.00 3.66 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 1.98 2.05 0.00 70 E 8.25 4.11 0.00 2.13 2.21 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 2.39 2.31 0.00 71 R 8.14 4.37 0.00 1.83 1.69 0.00 2.21 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 72 R 8.20 3.93 0.00 1.95 2.13 0.00 3.20 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 73 G 6.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 2.14 1.95 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 75 N 8.84 4.65 0.00 3.22 3.25 0.00 0.00 7.36 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 76 P 0.00 4.12 0.00 1.20 1.81 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 77 F 8.29 4.67 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 78 V 7.49 4.03 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 0.81 0.00 0.00 0.94 0.00 0.00 79 D 8.95 4.61 0.00 2.78 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 80 L 7.83 4.75 0.00 1.56 1.54 0.93 0.80 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 81 E 8.83 4.84 0.00 1.95 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 2.21 2.25 0.00 82 L 9.05 4.81 0.00 1.72 1.49 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 5.04 0.00 2.18 2.10 0.00 3.41 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 84 A 9.12 5.03 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 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0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 94 L 8.01 4.09 0.00 1.96 1.96 1.02 0.53 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 95 L 8.00 4.03 0.00 1.77 1.74 0.82 0.70 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 96 D 8.12 4.62 0.00 2.78 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 97 L 7.94 4.32 0.00 1.89 1.79 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.43 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.85 4.21 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 0.00 100 G 7.17 3.69 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 0.00 0.00 0.00 101 Y 8.79 5.50 0.00 2.97 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 110 T 7.91 4.22 4.74 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 1.52 0.00 0.00 111 L 8.19 3.31 0.00 1.77 1.85 0.64 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.91 3.90 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 0.00 113 E 7.43 3.35 0.00 1.16 1.12 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 1.87 2.08 0.00 114 L 7.30 3.87 0.00 1.39 1.40 -0.32 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.10 3.83 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 1.03 0.00 0.00 1.00 0.00 0.00 116 L 7.74 3.94 0.00 1.77 1.56 0.82 0.70 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 0.00 117 A 7.89 3.96 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 0.00 118 W 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0.00 0.00 0.00 0.00 0.00 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 V 7.66 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 0.77 0.00 0.00 1.01 0.00 0.00 128 G 9.13 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 0.00 129 R 8.55 4.70 0.00 1.33 1.73 0.00 3.36 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 130 P 0.00 4.39 0.00 1.93 2.07 0.00 3.52 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 131 L 8.87 5.37 0.00 2.02 1.62 1.09 0.99 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 0.00 132 A 8.81 5.02 0.07 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 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.57 4.85 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 0.55 0.00 0.00 0.92 0.00 0.00 134 D 9.17 5.28 0.00 2.78 2.60 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 0.00 135 P 0.00 4.29 0.00 2.27 2.15 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 136 Y 8.73 4.08 0.00 2.96 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 0.00 137 W 8.34 4.35 0.00 3.49 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 0.00 138 L 7.92 4.45 0.00 1.79 1.72 0.92 0.64 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 0.00 139 G 7.78 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 0.00 140 L 7.47 4.42 0.00 1.51 1.92 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.34 4.41 0.00 1.51 1.48 0.53 1.04 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 0.00 142 K 8.31 4.68 0.00 1.84 1.76 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.48 7.81 143 A 8.46 4.22 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 144 H 9.93 4.46 0.00 3.10 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.45 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 0.00 146 E 9.01 4.00 0.00 1.93 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 2.30 2.31 0.00 147 I 8.04 3.94 2.05 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.48 1.00 0.00 0.00 148 A 8.70 4.63 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 0.00 149 P 0.00 4.36 0.00 2.22 2.17 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 150 E 8.20 4.04 0.00 1.99 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 0.00 2.36 2.51 0.00 151 D 8.24 4.75 0.00 3.07 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.22 3.93 2.34 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 1.04 0.00 0.00 1.17 0.00 0.00 153 G 8.30 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 0.00 154 L 7.94 4.34 0.00 2.11 1.96 1.19 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.33 4.25 0.00 1.45 1.40 0.17 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.78 4.46 0.00 1.82 1.82 0.00 3.20 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 157 V 8.16 4.70 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 0.76 0.00 0.00 0.91 0.00 0.00 158 V 8.63 4.31 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.53 0.00 0.00 159 A 9.42 4.75 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 0.00 160 D 7.57 4.96 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.92 3.75 0.00 2.07 2.05 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 2.55 2.65 0.00 162 E 8.18 3.94 0.00 2.11 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 2.41 2.35 0.00 163 D 8.79 4.34 0.00 2.81 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 0.00 164 L 7.81 3.79 0.00 1.17 1.52 0.71 0.35 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 0.00 165 R 8.11 3.87 0.00 1.99 1.95 0.00 3.17 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 166 R 7.80 3.93 0.00 1.96 2.01 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 167 F 8.50 4.31 0.00 3.04 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 0.00 168 L 8.18 3.42 0.00 1.68 1.32 0.72 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 169 R 7.92 4.20 0.00 1.78 1.98 0.00 3.15 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 170 S 7.47 4.45 0.00 3.96 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 0.00 171 L 7.40 3.98 0.00 1.78 1.51 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.