NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4990 8.3049 118.1947 55.1303 32.5925 173.7549 2 L 4.6345 8.2284 117.5664 50.6713 45.7184 174.7609 3 D 4.9853 8.5997 122.1242 51.4528 44.3708 176.5715 4 A 3.9718 8.5806 120.5521 55.2090 17.9233 179.9838 5 F 4.0814 8.2667 115.8513 60.6738 39.1242 177.6811 6 A 4.0876 9.0489 120.9351 54.8041 17.9940 179.5477 7 K 3.8587 8.0950 118.4504 59.7273 32.2459 179.2571 8 V 3.5930 7.4316 117.7692 65.8026 31.3422 178.2213 9 V 3.5476 7.6886 117.7944 66.0053 31.4431 177.8411 10 A 3.9776 8.1766 120.5752 55.2618 17.8872 179.6872 11 Q 3.9167 7.9386 116.3533 59.0649 28.7311 178.8172 12 A 4.0219 8.0102 121.8618 55.1381 18.3308 179.1419 13 D 4.1632 8.4410 116.6777 57.4375 41.0800 178.3378 14 A 3.9744 7.7460 119.6938 54.3881 18.4137 178.7148 15 R 4.4257 7.2597 114.1177 54.9929 30.9654 176.4508 16 G 3.8324 8.0555 106.9515 46.7561 0.0000 173.5149 17 E 4.7436 8.0843 117.8598 53.9935 32.0518 176.3749 18 F 4.3964 8.5365 119.6331 56.6567 40.0994 175.8680 19 L 4.3854 8.3333 122.8722 54.6440 42.3698 177.9957 20 S 4.5535 9.1039 117.6718 57.7743 65.4171 175.2816 21 N 4.3795 8.6265 119.7609 56.7470 38.2208 177.7827 22 T 3.9947 7.8816 110.6976 64.7821 68.9083 176.6115 23 Q 3.9906 7.8937 121.0506 58.7224 28.7261 178.5415 24 L 4.0566 7.9996 120.0872 57.8161 41.6750 179.2183 25 D 4.3627 8.5881 119.0863 57.4136 40.6506 178.7093 26 A 4.0236 8.1975 121.2444 55.2226 18.3553 179.7277 27 L 3.9274 7.9516 117.5247 57.8032 41.6869 179.8320 28 S 4.1935 8.2252 115.3760 61.5197 62.9108 176.6089 29 K 3.9876 8.1971 122.3277 59.6854 31.6700 178.5573 30 M 4.0822 7.6033 117.8298 58.4742 32.4202 178.0794 31 V 3.8804 7.9006 118.6224 66.0336 31.4598 178.1836 32 S 4.2162 7.8927 114.2588 61.4820 63.0018 175.7182 33 E 4.4042 8.1978 118.5912 56.6047 29.2243 178.6456 34 G 3.8099 8.0098 108.1298 48.2778 0.0000 175.6837 35 N 4.4092 8.1614 118.6240 55.7803 38.5715 177.5473 36 K 3.9877 7.9916 119.4476 59.4692 32.2681 179.1193 37 R 3.9460 8.0509 118.9698 59.5325 29.9126 178.5925 38 L 4.0597 8.0625 118.7913 57.7603 41.4960 179.1765 39 D 4.3500 8.2085 118.9945 57.2251 40.6790 178.9086 40 V 3.5878 7.8031 118.6808 66.0602 31.5117 178.1143 41 V 3.5871 7.7183 117.8161 66.0356 31.2766 177.3769 42 N 4.2855 8.3604 116.7392 56.8355 38.5948 176.9590 43 R 3.9287 8.0703 118.3172 59.2943 30.5877 178.8934 44 I 3.8985 8.0071 119.5925 64.7010 37.1583 178.4548 45 T 3.8808 8.1355 116.7498 67.0193 68.1795 176.8300 46 S 4.3600 8.2405 115.0629 60.4738 62.9081 174.8915 47 N 4.9885 7.7319 117.7503 52.5776 39.6629 176.1774 48 A 4.0050 8.1908 123.1807 55.6668 18.2992 180.7865 49 S 4.0921 8.1017 112.7962 61.6435 62.8745 176.7303 50 A 3.9928 7.9277 122.9434 55.1565 18.2968 179.5198 51 I 3.6238 7.9320 118.4614 64.4817 37.1280 178.9366 52 V 3.5704 7.8895 118.8696 66.3599 31.3798 178.1574 53 T 3.8762 8.2000 115.8392 66.8881 68.2786 176.4704 54 N 4.3233 8.4395 118.2151 56.0803 38.4642 177.4602 55 A 3.8933 7.9171 121.6718 54.8531 18.4266 179.5220 56 A 3.4456 8.0916 119.4035 55.2013 18.5894 179.9128 57 R 3.9402 8.1173 116.4757 59.5455 30.3223 179.1661 58 A 3.9631 8.0468 120.4046 54.9154 18.2514 179.3922 59 L 3.7596 7.7851 118.8694 58.4554 41.9546 179.3978 60 F 4.5646 7.4942 116.2977 60.2399 38.8448 177.4112 61 S 4.3948 7.8876 113.3005 60.9549 63.1610 175.8424 62 E 4.1947 8.0298 122.0028 57.6112 30.9669 176.7842 63 Q 4.6623 8.2076 118.6571 52.9608 29.0273 174.1714 64 P 4.5280 0.0000 0.0000 65.2935 32.3345 179.6758 65 Q 4.1065 8.1022 117.8298 58.3820 28.8970 178.3120 66 L 4.1404 7.9615 118.0358 56.9256 41.6569 177.8508 67 I 4.2470 7.3702 109.0150 60.3069 38.5141 175.8605 68 Q 4.1532 7.4845 119.0525 54.8488 29.3033 173.7290 69 P 2.9700 0.0000 0.0000 64.0341 31.4903 177.1371 70 G 4.0251 8.4426 111.1963 45.2993 0.0000 173.9863 71 G 4.1541 7.7607 116.0459 45.1910 0.0000 175.4249 *75 A 4.0923 8.6648 127.8101 51.2545 19.7501 176.2934 76 Y 4.2550 7.7663 118.6809 58.9483 39.7898 175.6520 77 T 3.1061 7.4022 112.4088 62.1330 68.8120 172.6878 78 N 4.3079 8.2770 119.8885 56.1213 38.5265 177.8129 79 R 3.8372 7.7695 120.0207 59.5637 30.2046 178.6735 80 R 3.9755 7.6619 117.8004 59.1456 29.9387 178.7137 81 M 3.9530 8.0371 117.9760 58.6272 32.2397 178.1673 82 A 3.9788 8.3352 121.0353 55.1154 18.5331 179.4964 83 A 3.9691 8.1317 119.4101 55.2404 18.3277 179.4747 84 C 4.1117 8.3430 117.5559 62.7494 31.7195 175.8469 85 L 4.0805 8.3003 120.9018 57.7544 41.0817 179.4713 86 R 3.9379 8.2729 118.8105 59.4419 30.0278 178.2255 87 D 4.4269 8.2487 118.6816 57.8313 40.8978 178.8018 88 M 4.1372 7.9327 118.7925 58.3427 31.8658 178.4633 89 E 3.9747 8.2984 119.5331 59.2039 29.7204 178.8860 90 I 3.7750 8.0847 120.0977 64.5194 37.1368 178.4361 91 I 3.7070 7.8467 120.4999 64.3223 36.9762 178.2315 92 L 3.8889 8.0304 121.1155 58.0133 41.9773 178.9151 93 R 3.5282 8.1885 118.9173 59.7204 30.0134 178.2181 94 Y 3.3369 8.0655 116.6537 60.6195 37.7384 178.7226 95 V 3.3782 7.9230 120.0043 65.8204 31.5493 178.2960 96 S 4.1353 7.9267 113.9954 61.4783 62.8019 176.1659 97 Y 4.2385 7.4998 120.1556 60.8952 37.5274 178.0680 98 A 3.8994 7.8846 121.7705 54.8865 18.0561 179.8566 99 I 3.7604 7.3044 117.6215 64.7127 37.3541 178.2592 100 I 3.8388 7.5620 117.7662 63.9262 38.0424 177.4082 101 A 4.2559 8.2966 121.8428 52.6445 17.9722 178.7388 102 G 4.1338 9.0382 104.3223 45.5123 0.0000 172.7520 103 D 4.7605 7.6026 116.6840 52.6392 44.1675 175.3893 104 S 4.2636 8.8339 119.5285 59.3300 63.8855 175.8689 105 S 4.2358 8.4714 117.9069 62.1024 62.0706 176.2867 106 I 3.8238 7.7355 120.4923 63.8568 37.9501 177.5041 107 L 4.1468 8.1586 119.8957 57.8097 41.5368 178.6451 108 D 4.4024 8.2101 118.6017 57.6645 40.6332 178.3809 109 D 4.6253 7.6800 115.3643 54.7751 39.5187 175.7746 110 R 4.3165 7.4932 116.8338 58.1241 32.6152 177.1778 111 C 4.0266 8.4256 117.5730 62.2075 31.5887 174.3818 112 L 4.4138 7.7521 117.4666 54.8293 41.4730 177.0822 113 N 4.5731 8.5162 118.7895 53.8670 37.7542 175.5082 114 G 4.8134 7.8617 99.6459 44.1418 0.0000 174.5314 115 L 3.5907 7.3511 122.2054 58.0830 41.7746 178.7395 116 R 3.9502 7.8459 114.8039 59.0016 29.1122 178.4733 117 E 4.0206 8.5030 120.1054 59.3051 29.5626 178.9779 118 T 3.9294 7.7363 115.2350 66.9068 68.5401 175.8919 119 Y 4.4900 8.0362 118.5401 61.4714 37.6618 178.7424 120 Q 4.0454 8.0260 118.5747 59.2352 28.6421 179.1858 121 A 4.0387 7.9249 120.3457 54.7684 18.5000 178.9981 122 L 4.3407 7.8877 115.8436 55.0175 42.0140 177.8669 123 G 3.8206 7.5631 106.4516 45.7753 0.0000 173.2903 124 V 3.6658 7.8979 120.1771 61.0058 31.9030 174.6273 125 P 4.3994 0.0000 0.0000 62.1512 30.0903 176.7464 126 G 3.9914 9.0025 112.4103 47.1453 0.0000 172.8085 127 A 4.0810 7.9956 122.2281 54.9733 18.3753 179.7472 128 S 4.1176 8.1315 113.9877 61.4408 62.8274 176.9378 129 V 3.5457 7.7152 120.4019 65.9321 31.3950 177.6448 130 A 4.0138 8.1537 120.5354 55.2525 18.1641 179.7777 131 V 3.6311 7.6307 116.8022 65.9926 31.6165 178.4818 132 G 3.5554 8.0501 105.4733 47.9498 0.0000 175.6565 133 I 3.8505 8.0831 122.7965 64.1870 37.2372 178.4225 134 E 3.9300 8.3263 119.3874 59.3008 29.1524 179.5994 135 K 3.9578 8.0757 118.6212 59.6082 32.0024 179.3708 136 M 3.9996 8.0938 119.0675 57.9556 31.8395 178.5577 137 K 2.4800 7.8556 120.0863 59.1563 32.3663 178.5563 138 D 4.2487 7.6529 118.7975 57.3155 40.7397 179.0247 139 S 4.0843 7.8003 114.3725 61.3276 63.0652 176.3880 140 A 4.0386 8.1881 124.7946 54.9364 18.0894 179.7323 141 I 3.7213 7.7872 118.2356 64.2246 36.9375 178.4926 142 A 3.9786 7.6590 120.6663 55.1925 18.3951 179.5188 143 I 3.7976 7.8459 118.0560 64.5846 37.0160 178.6735 144 A 4.0591 8.0493 120.2853 54.3313 18.2126 178.1337 145 N 4.7780 7.8342 113.1503 52.2740 39.2581 174.2405 146 D 4.4010 7.2829 119.6147 54.0145 41.5285 174.8242 147 P 4.4003 0.0000 0.0000 65.1434 31.7431 177.2780 148 S 4.2225 7.7516 114.2377 59.3339 63.2443 174.0076 149 G 4.0018 8.6238 110.9889 45.8435 0.0000 172.9873 150 I 4.4040 7.3105 115.3313 59.4059 40.9690 173.7274 151 T 3.9904 8.3517 122.4752 63.7485 68.6992 174.6724 152 T 4.0319 8.5576 123.8464 63.4957 69.1871 174.1996 153 G 3.8936 7.8467 112.2192 45.8566 0.0000 171.0687 154 D 4.8074 8.7555 118.8608 52.9897 42.3549 175.9507 155 C 4.8496 8.4856 122.8882 59.4568 29.4555 175.6587 156 S 4.0915 8.6224 118.4168 61.8383 62.2911 176.3092 157 A 3.9931 8.0018 123.8698 54.7115 18.1062 179.4987 158 L 3.9527 7.8167 116.8952 58.2709 41.7668 179.3308 159 M 4.1090 8.2630 118.4951 58.4152 31.8634 178.7328 160 A 3.9393 7.9531 120.6559 54.9923 18.0104 179.2858 161 E 3.5869 7.9606 117.3597 59.2336 29.8465 179.0783 162 V 3.8307 8.2579 118.8072 66.1227 31.5888 178.0594 163 G 3.8104 8.3713 105.8238 48.2275 0.0000 175.6462 164 T 3.8716 7.9199 112.1244 64.6714 68.5949 176.2535 165 Y 4.3399 7.4906 119.2148 60.9118 37.8050 178.1680 166 F 4.1664 8.2765 118.2851 60.7377 39.1312 177.1935 167 D 4.4224 8.4687 118.5932 57.4583 40.6732 178.9311 168 R 3.9261 8.3431 119.0139 59.3255 29.9641 178.5079 169 A 4.0007 8.1367 120.4084 55.1433 18.1918 179.5208 170 A 4.0227 8.1665 118.4535 55.4920 18.3905 179.7759 171 T 4.0043 8.0827 114.3236 66.7561 68.3422 176.9632 172 A 4.1157 7.7153 121.1476 54.9631 18.5774 179.4807 173 V 3.9083 7.7937 110.1458 62.5982 31.5804 176.5335 174 Q 4.2889 7.6284 120.6361 56.1424 28.5473 175.2037 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 1 M 8.30 4.50 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 2 L 8.23 4.63 0.00 1.60 1.56 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.60 4.99 0.00 3.20 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 4 A 8.58 3.97 1.18 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 5 F 8.27 4.08 0.00 3.27 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 6 A 9.05 4.09 1.41 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 0.00 0.00 0.00 7 K 8.09 3.86 0.00 1.86 1.96 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 8 V 7.43 3.59 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 7.69 3.55 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 1.04 0.00 0.00 1.02 0.00 0.00 10 A 8.18 3.98 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 11 Q 7.94 3.92 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 12 A 8.01 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.16 0.00 2.82 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 A 7.75 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.26 4.43 0.00 1.86 1.97 0.00 3.31 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 16 G 8.06 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 17 E 8.08 4.74 0.00 1.94 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 0.00 2.28 2.40 0.00 18 F 8.54 4.40 0.00 3.04 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 19 L 8.33 4.39 0.00 1.71 1.65 0.97 0.92 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 20 S 9.10 4.55 0.00 4.05 4.02 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 21 N 8.63 4.38 0.00 2.76 2.92 0.00 0.00 6.56 7.05 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 22 T 7.88 3.99 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 23 Q 7.89 3.99 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 24 L 8.00 4.06 0.00 1.91 1.75 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.59 4.36 0.00 2.84 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 26 A 8.20 4.02 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.95 3.93 0.00 1.95 1.95 1.04 0.54 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 28 S 8.23 4.19 0.00 4.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.20 3.99 0.00 1.84 1.91 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 30 M 7.60 4.08 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 31 V 7.90 3.88 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 1.02 0.00 0.00 1.15 0.00 0.00 32 S 7.89 4.22 0.00 4.11 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.20 4.40 0.00 2.19 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 2.48 0.00 34 G 8.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.16 4.41 0.00 2.76 2.90 0.00 0.00 7.08 7.20 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 36 K 7.99 3.99 0.00 2.02 1.88 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.51 7.81 37 R 8.05 3.95 0.00 1.94 2.14 0.00 3.17 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 38 L 8.06 4.06 0.00 1.92 1.72 0.93 1.12 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 39 D 8.21 4.35 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.80 3.59 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 1.14 0.00 0.00 1.01 0.00 0.00 41 V 7.72 3.59 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 1.06 0.00 0.00 1.01 0.00 0.00 42 N 8.36 4.29 0.00 2.97 2.95 0.00 0.00 7.28 7.64 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 43 R 8.07 3.93 0.00 2.03 2.00 0.00 3.24 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 44 I 8.01 3.90 1.92 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 1.62 1.13 0.98 0.00 0.00 45 T 8.14 3.88 4.42 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 1.22 0.00 0.00 46 S 8.24 4.36 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.73 4.99 0.00 2.93 2.76 0.00 0.00 6.69 6.59 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 48 A 8.19 4.00 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.40 3.11 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 0.65 0.00 0.00 78 N 8.28 4.31 0.00 2.67 2.85 0.00 0.00 6.64 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.77 3.84 0.00 1.83 1.87 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 80 R 7.66 3.98 0.00 2.05 1.95 0.00 3.19 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 81 M 8.04 3.95 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 82 A 8.34 3.98 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.13 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.34 4.11 0.00 3.13 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 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0.00 1.87 1.89 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.17 0.00 94 Y 8.07 3.34 0.00 3.09 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.92 3.38 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 0.21 0.00 0.00 0.58 0.00 0.00 96 S 7.93 4.14 0.00 4.08 4.03 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 97 Y 7.50 4.24 0.00 2.98 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.88 3.90 0.56 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 99 I 7.30 3.76 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.84 1.00 0.00 0.00 100 I 7.56 3.84 1.91 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 1.48 0.78 0.95 0.00 0.00 101 A 8.30 4.26 1.35 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 0.00 0.00 0.00 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 A 8.00 4.08 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 0.00 128 S 8.13 4.12 0.00 4.01 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 0.00 129 V 7.72 3.55 2.31 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 1.28 0.00 0.00 0.69 0.00 0.00 130 A 8.15 4.01 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 0.00 131 V 7.63 3.63 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 0.96 0.00 0.00 0.98 0.00 0.00 132 G 8.05 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 0.00 133 I 8.08 3.85 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.89 1.15 0.00 0.00 134 E 8.33 3.93 0.00 2.24 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 2.31 2.35 0.00 135 K 8.08 3.96 0.00 1.87 1.78 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.52 7.81 136 M 8.09 4.00 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 137 K 7.86 2.48 0.00 1.26 1.70 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.15 1.11 7.81 138 D 7.65 4.25 0.00 2.67 2.62 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 0.00 139 S 7.80 4.08 0.00 3.98 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 0.00 140 A 8.19 4.04 1.46 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 0.00 141 I 7.79 3.72 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 0.90 0.00 0.00 142 A 7.66 3.98 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 0.00 143 I 7.85 3.80 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 1.46 0.73 0.95 0.00 0.00 144 A 8.05 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.78 0.00 2.85 2.82 0.00 0.00 7.15 8.09 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 0.00 146 D 7.28 4.40 0.00 2.82 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 0.00 147 P 0.00 4.40 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 148 S 7.75 4.22 0.00 4.03 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 0.00 149 G 8.62 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 0.00 150 I 7.31 4.40 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 0.63 0.97 0.00 0.00 151 T 8.35 3.99 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 0.00 152 T 8.56 4.03 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 1.21 0.00 0.00 153 G 7.85 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 0.00 154 D 8.76 4.81 0.00 2.62 2.57 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 0.00 155 C 8.49 4.85 0.00 3.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.62 4.09 0.00 4.05 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 0.00 157 A 8.00 3.99 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 0.00 158 L 7.82 3.95 0.00 1.94 1.76 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 159 M 8.26 4.11 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.90 0.00 160 A 7.95 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 E 7.96 3.59 0.00 2.11 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 1.92 2.15 0.00 162 V 8.26 3.83 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 1.26 0.00 0.00 1.07 0.00 0.00 163 G 8.37 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.92 3.87 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 165 Y 7.49 4.34 0.00 3.07 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 0.00 166 F 8.28 4.17 0.00 3.22 3.08 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 0.00 167 D 8.47 4.42 0.00 2.89 2.76 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 0.00 168 R 8.34 3.93 0.00 2.09 2.17 0.00 3.20 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 169 A 8.14 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.02 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 0.00 171 T 8.08 4.00 4.42 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 1.23 0.00 0.00 172 A 7.72 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 7.79 3.91 2.36 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 1.00 0.00 0.00 1.15 0.00 0.00 174 Q 7.63 4.29 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.