NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3628 8.2993 121.8001 55.7551 34.1902 175.3915 7 L 4.6120 7.6163 117.1899 53.6669 43.5682 174.0721 8 A 4.4479 8.8196 123.4699 52.2253 20.7139 177.7319 9 V 5.0045 8.9269 120.5973 61.2606 36.0045 174.3235 10 A 5.2595 8.3799 125.9421 50.1627 22.3822 175.2894 11 V 4.6843 8.2903 122.5880 61.4909 34.0885 174.7686 12 V 5.3281 8.6310 125.4475 60.1266 34.5249 172.6337 13 C 5.1443 8.8964 121.6356 59.0270 32.2715 176.2144 14 S 4.7172 9.0528 108.9131 57.9531 64.6067 174.8564 15 S 4.8310 8.0591 111.9626 57.0170 64.6615 173.6194 16 N 4.1350 8.2607 115.8579 54.6222 38.0220 172.9116 *18 N 4.7742 7.7388 122.1694 53.4665 40.5428 177.1889 19 R 3.7146 8.5723 115.8119 59.2839 30.8112 177.9317 20 S 4.0418 8.2602 109.3602 59.8231 62.5039 175.0865 *22 E 4.2214 8.1555 120.6224 55.7685 31.2822 177.3092 23 A 4.1645 7.8181 119.8275 54.5877 18.9641 178.8053 24 H 4.0260 8.4235 116.9993 59.6133 29.8781 176.6992 25 N 4.3750 8.3072 118.6513 56.1401 38.7517 176.4887 26 F 3.7125 8.0554 119.5792 60.7471 39.6136 177.9343 27 L 4.3319 8.3404 118.0725 57.8107 41.3951 179.4446 28 A 4.2918 7.7333 121.7054 54.7466 18.1770 179.9011 29 K 3.6862 7.9556 115.3584 58.6487 32.1183 178.4288 30 K 4.2574 7.5902 117.5521 56.4045 32.3661 175.9810 31 G 3.9140 8.7466 106.8644 46.2399 0.0000 174.6540 32 F 4.0743 7.5130 117.2496 57.8775 39.6290 174.0634 33 N 5.0051 8.8406 122.6023 52.9519 39.1519 173.8091 34 V 5.0155 8.2212 124.9435 59.8843 34.6515 175.0610 35 R 4.9392 8.7687 121.8697 54.3584 33.9570 174.6750 36 S 5.1464 8.2361 114.9112 57.0569 66.3034 172.4523 37 Y 5.7095 8.1696 118.7774 55.6478 42.6820 173.9278 38 G 4.7741 8.8967 105.2412 45.4833 0.0000 173.3000 39 T 4.0935 8.3916 110.2128 61.8717 70.8554 174.6762 40 G 4.0741 8.1585 109.1674 46.2122 0.0000 174.0088 41 E 4.3206 9.0194 118.1969 59.0270 29.6233 177.3968 42 R 4.9253 7.5988 113.7144 54.1714 34.9584 174.5140 43 V 3.8329 7.8026 120.7463 62.0836 32.4395 174.9621 44 K 5.1233 8.5487 126.4027 55.2321 35.5575 175.3315 45 L 4.9590 9.1541 122.3794 51.8217 45.8160 173.9662 46 P 4.6872 0.0000 0.0000 63.3996 32.2930 178.2132 47 G 4.9713 8.9187 110.0182 45.2754 0.0000 175.7296 *49 A 4.2288 8.8960 127.6462 51.1730 19.6887 178.6053 50 F 4.3700 9.1216 114.2403 59.1601 37.9269 175.9510 51 D 4.6827 6.7983 119.0723 52.4302 39.7264 176.4976 52 K 4.5990 7.6590 120.8232 54.7802 32.0081 173.0260 53 P 5.2207 0.0000 0.0000 60.8986 34.3538 175.6456 54 N 4.5435 8.4966 118.5906 52.8865 39.6827 174.4799 55 V 4.7064 7.7781 122.9111 61.3071 34.7097 173.8185 56 Y 4.8599 9.2833 123.9531 55.9814 43.2517 173.8312 57 E 4.3938 8.7466 121.4658 55.4278 31.1305 178.5131 58 F 4.5185 8.8521 125.5335 57.3624 38.2562 176.4237 59 G 4.1844 8.6884 109.4018 45.3622 0.0000 174.3924 60 T 3.8577 7.9706 109.6904 61.6290 68.9573 174.7102 61 K 4.1498 8.4081 123.8929 56.6549 33.9422 177.9945 62 Y 4.0710 8.5470 120.7240 61.0073 37.9461 178.2060 63 E 4.1221 8.3148 120.0473 59.6929 29.7113 178.3534 64 D 4.0704 8.1792 118.1817 57.6029 40.8593 178.9637 65 I 3.3940 7.3380 119.8605 63.7703 37.0224 177.7021 66 Y 4.2722 8.6843 121.6381 60.3005 38.5390 177.5098 67 R 3.5948 7.8825 119.2302 59.3847 30.0694 177.3079 68 D 4.3503 7.9022 116.6942 57.9559 41.2285 178.3448 69 L 4.0317 7.6824 118.2092 57.3963 41.9032 179.0458 70 E 4.0545 7.9523 119.7547 59.1484 29.4382 178.6576 71 S 4.3554 8.0111 110.3114 59.8170 63.3130 174.5455 72 K 4.6458 7.9609 122.4715 56.5398 33.0184 179.7973 73 D 4.7867 8.9513 121.3381 55.0226 36.1849 176.0932 74 K 4.0239 7.8734 123.6060 60.0350 33.0980 176.4505 75 E 4.0474 8.3055 118.8353 58.9068 29.6959 177.8707 76 F 3.9463 8.2426 120.0273 61.9961 39.3428 177.0959 77 Y 4.3574 8.3791 115.8625 60.6472 37.4495 177.9437 78 T 4.1928 7.8756 110.0612 64.0170 69.2047 176.2866 79 Q 4.1094 7.7978 121.8474 58.3129 29.3932 176.3142 80 N 4.5029 7.6615 115.3364 53.0126 38.1646 174.9474 81 G 4.1312 8.2196 110.4402 46.0984 0.0000 176.1032 82 L 3.9112 8.5786 119.4547 57.9830 42.0407 178.6776 83 L 4.1915 8.1517 118.1577 58.3804 41.8248 179.5278 84 H 3.9583 8.0535 114.8447 57.3186 29.5402 176.3628 *86 L 4.2246 7.9315 119.7137 54.3999 43.4223 178.7145 87 D 3.9887 8.1494 117.9953 57.0393 40.8458 178.2209 88 R 3.7518 7.9808 118.2762 58.7550 30.1819 177.6687 89 N 4.1705 7.1891 116.6953 55.3967 38.4009 177.3194 90 R 3.9235 7.1357 114.8651 59.0444 29.4064 177.7341 91 R 4.1557 7.7299 114.9945 57.1627 30.5029 175.9544 92 I 4.2673 7.7971 116.5880 61.9638 39.2876 175.4430 93 K 4.7099 7.4543 119.0969 54.0856 35.3289 176.0302 94 K 4.2283 8.7561 124.8048 59.0424 32.4742 176.4629 95 C 4.3057 7.5754 110.7551 55.0279 32.5272 171.7287 96 P 4.5183 0.0000 0.0000 63.1099 31.5077 175.3011 97 E 4.9105 8.9358 118.2885 54.4043 32.7391 174.8375 98 R 3.7833 8.1370 124.4932 56.0312 30.7004 176.4530 99 F 3.8183 9.8727 130.8829 61.6712 39.1782 176.3206 100 Q 3.4084 8.2882 115.7813 58.4204 28.5979 176.9459 101 D 4.5677 6.8164 117.1131 51.8911 39.5281 174.6604 102 T 4.1296 7.1364 112.2616 61.0930 70.2083 173.2833 103 K 4.1212 8.5190 127.0207 57.5634 32.9842 177.2834 104 E 3.6287 7.9287 117.6558 56.8195 29.7585 176.1143 105 Q 3.7218 7.7495 121.2575 53.7503 30.5766 174.9927 106 F 5.2079 9.3297 120.7303 55.9315 42.5678 174.7261 107 D 4.9019 8.9700 121.2217 55.7594 42.6386 176.9451 108 I 5.0346 7.8711 118.6472 59.4664 41.3519 174.5748 109 I 4.4091 8.9521 128.2043 59.6972 39.7419 174.8386 110 V 5.4178 8.8532 129.3298 60.7660 32.7189 175.4361 111 T 4.6090 8.4597 118.5568 61.4435 70.8709 175.2092 112 V 5.2054 7.7346 114.2156 60.1446 33.4756 174.8426 113 E 4.8468 7.6801 119.6093 54.0187 32.5222 175.8208 114 E 3.8825 8.7629 124.0835 59.5363 29.9753 178.9148 115 R 3.9286 8.1107 118.2582 59.6821 29.8815 178.4052 116 V 3.7135 7.7386 117.4343 65.8295 31.6792 177.1006 117 Y 4.0521 7.9955 119.2997 60.7978 38.3722 177.8960 118 D 4.2512 7.9806 118.3954 57.4989 41.0897 178.4071 119 L 4.1086 7.2014 116.7290 57.7475 41.6748 179.5464 120 V 3.6483 7.5950 117.1725 65.8544 31.5076 179.8828 121 V 3.4751 6.9814 114.6053 63.1683 32.1502 175.3434 *123 H 4.3934 8.1848 114.1561 55.7189 30.7621 173.9537 *125 E 4.2795 8.1844 115.0696 55.6534 31.2316 177.2201 126 S 3.9593 7.7417 115.1430 60.6844 62.5887 174.0565 *128 E 4.0102 7.8989 119.8265 56.1068 29.8472 174.9195 129 S 4.7602 8.7660 122.5788 56.5940 65.3693 174.9629 130 V 3.5878 8.8616 114.0079 66.1892 30.7863 180.5501 131 D 3.9949 7.5136 117.0390 55.7976 41.7678 177.6077 132 N 4.2567 7.9948 113.7629 54.3520 37.4891 173.5448 133 R 4.7523 7.5236 113.7135 53.9618 31.2898 173.7782 134 P 4.5108 0.0000 0.0000 62.5169 32.6060 175.9435 135 V 4.5698 8.1531 121.5355 60.3595 34.8236 173.8562 136 H 4.9493 9.2526 122.7127 54.4166 30.2486 174.6576 137 V 4.3945 8.3450 124.9685 62.0737 32.0631 174.2489 138 L 4.9743 8.7246 128.9850 53.1001 43.8817 175.1456 139 N 5.6853 8.9631 123.2274 51.1997 41.1364 173.5110 140 V 4.3776 8.5785 126.7919 60.7711 33.7147 174.2653 141 D 4.9942 8.6469 128.0518 55.2591 41.4800 177.1620 142 V 4.2499 8.1562 119.9384 60.6925 34.4978 173.7228 143 V 3.7036 8.5621 125.5446 63.2428 31.8918 174.8446 144 D 4.8665 8.4590 123.0582 54.6996 41.4202 175.2632 145 N 4.7916 8.1062 116.0610 51.4368 40.2424 175.4192 146 A 4.2848 8.6587 128.3457 54.5996 18.1267 179.2113 147 E 4.0970 9.0033 118.1243 59.3431 29.6982 178.2497 148 D 4.4029 8.1965 115.9564 56.0056 41.3150 177.7958 149 A 4.1328 7.7926 122.6108 54.7999 18.8766 180.8955 150 L 4.1861 7.6568 118.8550 55.3048 39.9057 179.2820 *152 G 3.8018 8.1151 108.9017 46.5689 0.0000 175.2867 153 A 3.6962 7.6203 121.7355 55.0269 18.0680 179.4622 154 F 3.5442 7.8221 116.1046 60.5169 38.7892 177.7387 155 V 3.7695 7.8162 116.1776 66.3448 31.4052 177.5939 156 I 3.7093 8.0479 118.0206 64.7570 37.2130 178.2004 157 T 3.8671 8.0927 116.5654 66.6609 68.1356 175.9832 158 D 4.3776 8.2910 118.5150 56.2260 42.0414 177.1661 *160 I 3.9188 7.5462 118.7947 61.4535 38.0068 175.6499 161 N 4.5042 8.2136 119.9559 53.8684 36.9593 174.4248 *164 A 4.4731 7.7836 123.4845 51.6353 21.5441 178.3104 165 K 4.3927 7.2764 114.0100 55.5699 31.4653 176.6072 166 S 4.5725 7.4327 112.6531 57.0212 65.5725 173.1375 167 T 4.0053 8.8436 122.5851 64.9663 67.6058 173.4410 168 D 4.7121 7.5975 119.9095 51.4717 41.5352 174.3923 169 L 4.0386 8.4413 124.7659 57.8386 42.4771 177.8212 170 D 4.5789 8.3129 116.3194 57.5499 40.7684 177.5730 171 N 4.5921 8.2975 116.5261 55.8672 39.2724 176.3813 172 D 4.8710 7.9530 114.2803 54.0949 39.6177 178.1000 173 I 3.6502 7.5870 122.9504 64.6703 38.0832 177.4927 174 D 4.3889 8.0962 119.3902 57.1691 40.6075 178.0895 175 E 4.1621 7.9288 118.9878 58.6341 29.8878 178.0305 176 L 3.9995 8.1032 119.3224 58.4698 41.7275 178.9445 177 I 3.7238 7.8623 119.1448 64.4661 37.1375 177.8622 178 Q 4.4735 7.9059 119.7622 59.3649 28.9250 179.6861 179 E 4.1311 8.4141 119.3720 59.1554 29.6099 178.8394 180 F 3.9694 8.9673 120.9470 60.5955 39.2695 176.4712 181 E 4.2372 8.2879 117.7014 58.2349 29.2760 177.9958 182 E 3.9873 7.3956 117.7092 58.5289 29.8253 178.2536 183 R 3.9345 7.9403 118.3272 59.0354 30.4035 177.8854 184 R 4.1446 7.1277 113.4997 54.4790 31.8318 176.4673 185 K 3.9895 7.6959 116.0113 56.0631 29.2868 173.5713 186 R 4.5731 7.2627 115.8046 54.4895 34.7588 175.7133 187 V 3.9890 8.2265 119.4896 61.6967 31.3024 175.4599 188 I 4.7617 7.9561 129.2090 58.7063 37.9562 175.8629 189 L 4.0953 8.0786 128.2420 54.7283 42.8273 175.9495 190 H 5.4684 8.7711 122.9317 54.7153 32.4506 172.1255 191 S 4.8196 8.8389 119.6956 56.5737 66.7295 173.0976 192 V 4.4361 8.0901 112.8390 59.7300 34.0914 175.0138 193 L 4.6393 7.8055 122.1597 53.3765 46.7248 174.8761 194 F 5.2657 8.3082 117.0101 56.1374 43.4070 175.0967 195 Y 4.4645 8.5153 117.5939 58.4238 37.8653 175.8056 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 6 K 8.30 4.36 0.00 1.76 1.97 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.47 7.81 7 L 7.62 4.61 0.00 1.90 1.64 0.96 0.36 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 8 A 8.82 4.45 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 9 V 8.93 5.00 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 0.84 0.00 0.00 0.98 0.00 0.00 10 A 8.38 5.26 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.29 4.68 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 0.98 0.00 0.00 0.85 0.00 0.00 12 V 8.63 5.33 1.93 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 1.13 0.00 0.00 0.87 0.00 0.00 13 C 8.90 5.14 0.00 3.04 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 14 S 9.05 4.72 0.00 3.95 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 15 S 8.06 4.83 0.00 3.88 3.76 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 0.00 0.00 0.00 16 N 8.26 4.13 0.00 3.03 2.98 0.00 0.00 7.01 7.79 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 *18 N 7.74 4.77 0.00 2.85 2.14 0.00 0.00 7.08 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.57 3.71 0.00 1.95 1.90 0.00 3.33 0.00 0.00 3.53 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 20 S 8.26 4.04 0.00 3.98 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 *22 E 8.16 4.22 0.00 2.13 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 0.00 2.33 2.44 0.00 23 A 7.82 4.16 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 24 H 8.42 4.03 0.00 3.34 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.31 4.37 0.00 2.85 2.81 0.00 0.00 7.17 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 26 F 8.06 3.71 0.00 3.01 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 27 L 8.34 4.33 0.00 1.74 1.81 0.86 0.78 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 28 A 7.73 4.29 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 29 K 7.96 3.69 0.00 1.61 1.76 0.00 1.49 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 30 K 7.59 4.26 0.00 2.13 2.06 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.54 7.81 31 G 8.75 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 32 F 7.51 4.07 0.00 3.31 3.04 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 33 N 8.84 5.01 0.00 2.89 3.09 0.00 0.00 6.51 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 34 V 8.22 5.02 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 0.67 0.00 0.00 0.75 0.00 0.00 35 R 8.77 4.94 0.00 1.89 1.78 0.00 3.36 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.08 0.00 36 S 8.24 5.15 0.00 3.80 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 37 Y 8.17 5.71 0.00 3.16 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 38 G 8.90 4.77 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 0.00 0.00 0.00 39 T 8.39 4.09 4.36 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 1.11 0.00 0.00 40 G 8.16 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 41 E 9.02 4.32 0.00 2.05 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 2.37 2.32 0.00 42 R 7.60 4.93 0.00 1.63 1.98 0.00 3.22 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 43 V 7.80 3.83 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 0.85 0.00 0.00 -0.19 0.00 0.00 44 K 8.55 5.12 0.00 1.72 1.68 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.46 7.81 45 L 9.15 4.96 0.00 1.66 1.65 1.05 0.97 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 46 P 0.00 4.69 0.00 2.09 2.14 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 47 G 8.92 4.97 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 *49 A 8.90 4.23 1.24 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 50 F 9.12 4.37 0.00 3.20 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 51 D 6.80 4.68 0.00 2.38 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 52 K 7.66 4.60 0.00 1.74 1.59 0.00 1.44 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.36 7.81 53 P 0.00 5.22 0.00 2.24 2.04 0.00 3.75 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 1.88 1.96 0.00 54 N 8.50 4.54 0.00 2.83 2.79 0.00 0.00 6.71 8.99 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 55 V 7.78 4.71 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 0.74 0.00 0.00 0.89 0.00 0.00 56 Y 9.28 4.86 0.00 2.81 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 57 E 8.75 4.39 0.00 2.10 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 0.00 2.44 2.39 0.00 58 F 8.85 4.52 0.00 3.16 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 59 G 8.69 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 0.00 0.00 0.00 0.00 60 T 7.97 3.86 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 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0.00 0.00 0.00 87 D 8.15 3.99 0.00 2.20 2.50 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 88 R 7.98 3.75 0.00 1.60 1.80 0.00 3.28 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 89 N 7.19 4.17 0.00 1.85 1.42 0.00 0.00 6.56 7.54 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 90 R 7.14 3.92 0.00 1.95 2.05 0.00 2.99 0.00 0.00 3.44 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.47 0.00 91 R 7.73 4.16 0.00 1.86 1.95 0.00 3.03 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 92 I 7.80 4.27 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.86 0.00 0.00 93 K 7.45 4.71 0.00 1.68 1.88 0.00 2.03 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.39 1.42 7.81 94 K 8.76 4.23 0.00 1.91 1.81 0.00 1.67 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.53 1.51 7.81 95 C 7.58 4.31 0.00 2.97 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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 0.00 132 N 7.99 4.26 0.00 2.94 2.77 0.00 0.00 6.93 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 7.52 4.75 0.00 2.23 2.14 0.00 2.86 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 134 P 0.00 4.51 0.00 1.98 2.31 0.00 3.87 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 135 V 8.15 4.57 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 0.31 0.00 0.00 1.00 0.00 0.00 136 H 9.25 4.95 0.00 3.15 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.34 4.39 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 0.86 0.00 0.00 0.82 0.00 0.00 138 L 8.72 4.97 0.00 1.59 1.49 0.79 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.96 5.69 0.00 2.56 2.11 0.00 0.00 6.47 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 0.00 140 V 8.58 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 0.91 0.00 0.00 0.81 0.00 0.00 141 D 8.65 4.99 0.00 2.58 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 0.00 142 V 8.16 4.25 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 0.64 0.00 0.00 0.97 0.00 0.00 143 V 8.56 3.70 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 0.99 0.00 0.00 0.93 0.00 0.00 144 D 8.46 4.87 0.00 2.68 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 0.00 145 N 8.11 4.79 0.00 2.85 2.66 0.00 0.00 7.13 7.55 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 0.00 146 A 8.66 4.28 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 0.00 147 E 9.00 4.10 0.00 2.01 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 2.30 2.35 0.00 148 D 8.20 4.40 0.00 2.67 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 0.00 149 A 7.79 4.13 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 0.00 150 L 7.66 4.19 0.00 2.18 2.05 1.12 0.81 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 *152 G 8.12 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 0.00 153 A 7.62 3.70 0.69 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 0.00 154 F 7.82 3.54 0.00 2.92 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 0.00 155 V 7.82 3.77 2.24 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 1.09 0.00 0.00 0.98 0.00 0.00 156 I 8.05 3.71 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.79 0.00 0.00 157 T 8.09 3.87 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 158 D 8.29 4.38 0.00 2.91 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 *160 I 7.55 3.92 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.49 0.19 0.00 0.00 161 N 8.21 4.50 0.00 2.86 2.98 0.00 0.00 7.09 8.56 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 *164 A 7.78 4.47 1.60 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 0.00 165 K 7.28 4.39 0.00 1.89 1.93 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.40 7.81 166 S 7.43 4.57 0.00 3.80 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 0.00 167 T 8.84 4.01 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 1.23 0.00 0.00 168 D 7.60 4.71 0.00 2.67 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 0.00 169 L 8.44 4.04 0.00 1.65 1.72 0.76 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 170 D 8.31 4.58 0.00 2.76 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 0.00 171 N 8.30 4.59 0.00 2.84 2.82 0.00 0.00 6.74 8.23 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 0.00 172 D 7.95 4.87 0.00 3.01 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 0.00 173 I 7.59 3.65 1.92 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.98 0.96 0.00 0.00 174 D 8.10 4.39 0.00 2.75 2.73 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 0.00 175 E 7.93 4.16 0.00 2.08 1.93 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 2.36 2.46 0.00 176 L 8.10 4.00 0.00 1.69 1.72 0.94 1.13 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 0.00 177 I 7.86 3.72 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.90 0.00 0.00 178 Q 7.91 4.47 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 179 E 8.41 4.13 0.00 2.26 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 2.34 2.52 0.00 180 F 8.97 3.97 0.00 3.20 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 0.00 181 E 8.29 4.24 0.00 2.24 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 0.00 2.47 2.59 0.00 182 E 7.40 3.99 0.00 2.10 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 0.00 2.29 2.32 0.00 183 R 7.94 3.93 0.00 1.78 1.60 0.00 3.03 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 184 R 7.13 4.14 0.00 1.53 1.75 0.00 3.37 0.00 0.00 3.01 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.76 0.00 185 K 7.70 3.99 0.00 1.76 1.76 0.00 1.69 0.00 0.00 0.61 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 186 R 7.26 4.57 0.00 1.80 1.80 0.00 3.20 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 187 V 8.23 3.99 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 0.78 0.00 0.00 0.91 0.00 0.00 188 I 7.96 4.76 1.87 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 1.68 0.88 0.00 0.00 189 L 8.08 4.10 0.00 0.66 1.11 0.45 0.77 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 0.00 190 H 8.77 5.47 0.00 3.02 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 8.84 4.82 0.00 3.83 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 0.00 192 V 8.09 4.44 1.68 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 0.58 0.00 0.00 0.83 0.00 0.00 193 L 7.81 4.64 0.00 1.17 1.25 0.82 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.31 5.27 0.00 2.89 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 0.00 195 Y 8.52 4.46 0.00 3.03 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.