NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.3331 8.0327 117.3739 63.7677 70.8962 175.6898 8 Q 3.8115 8.2449 122.1626 58.3608 28.7792 176.6154 9 Q 3.9925 8.8062 121.5713 59.4090 29.6176 177.4960 10 M 4.0605 7.9308 119.1596 58.0244 32.0105 178.4173 11 A 3.9500 8.4294 121.4894 55.1430 18.6231 179.5893 12 V 3.5400 7.8059 116.7774 66.3405 31.5155 178.0444 13 S 4.1023 8.2023 112.7130 61.5255 62.2487 176.1717 14 I 3.7297 8.2362 122.6573 64.5087 36.9342 178.3806 15 I 3.8785 8.1987 120.9706 64.6378 36.8773 178.2915 16 N 4.3604 8.2856 117.1795 56.4997 38.4150 177.6398 17 S 4.1082 8.2926 116.5882 61.5966 62.8702 176.7799 18 S 4.1284 8.1388 115.9162 61.2737 62.2068 175.9972 19 F 3.5188 7.7041 123.1772 61.1321 39.0473 176.9162 20 E 3.5044 8.2743 118.1623 59.0623 29.0961 179.3392 21 A 3.8925 7.9116 120.5928 55.1350 18.5071 179.5160 22 A 3.8885 7.8970 119.3040 55.1292 18.3530 180.1637 23 V 3.2928 7.2803 116.6421 66.1752 31.5918 178.5003 24 V 3.6167 7.7266 117.7465 65.7300 31.2542 177.8767 25 A 3.9014 8.1850 120.4860 55.0205 18.2798 179.3351 26 A 3.7881 7.9341 119.1842 55.5993 18.3806 179.5781 27 T 3.1149 8.2956 111.8943 65.2421 67.4311 176.2381 28 S 4.2643 8.4957 115.5810 60.5300 63.2105 176.3797 29 A 3.9150 7.7872 125.2001 55.0930 18.1086 179.2920 30 L 3.9358 7.6823 117.5821 58.0605 41.7462 179.4822 31 E 4.0366 8.0596 119.0531 59.4770 29.4489 178.4294 32 N 4.4693 8.0884 115.4667 56.0715 38.9416 175.6145 33 M 4.5498 7.5814 118.0700 54.0312 32.4594 175.8688 34 G 4.0024 7.9369 106.3480 46.7267 0.0000 173.9110 35 I 4.4321 8.0496 122.7001 59.4155 39.0916 176.8204 36 E 4.2637 8.7564 121.3929 56.1115 30.4081 172.3211 37 Y 4.6770 7.3821 114.1411 56.0095 40.1476 173.1711 38 D 4.8128 8.2797 120.5520 52.7441 43.4639 175.8628 39 Y 4.4857 8.8606 128.1117 61.5914 38.6721 178.3183 40 Q 3.9296 8.4379 117.9326 59.0720 28.7937 178.5625 41 D 4.3266 8.6450 118.9566 57.6899 41.4057 178.5395 42 I 3.7453 7.9640 120.1814 64.1250 37.0696 177.9310 43 Y 3.7046 8.3514 120.9278 60.7508 38.6344 178.0324 44 S 4.1748 8.4190 114.2398 61.3972 62.5088 176.4218 45 R 3.8710 8.0255 120.7552 59.3777 29.9167 179.2575 46 V 3.6801 7.7058 117.9945 65.6883 31.4569 178.0337 47 K 3.8448 8.0428 119.4314 59.4033 32.0276 178.4995 48 N 4.3221 8.1069 116.8197 56.2070 38.5077 177.3104 49 K 3.9886 7.9453 120.3044 59.4864 32.3056 178.4796 50 F 3.9376 8.8133 121.2185 61.5129 39.3461 176.8006 51 D 4.3846 8.7507 118.7819 57.3513 40.6495 178.6274 52 F 4.0143 8.4193 121.1952 61.1401 39.4391 177.3888 53 V 3.4905 8.4781 120.7365 66.9399 31.3881 178.6262 54 M 3.8803 7.9522 120.4018 59.2947 31.0792 179.7313 55 D 4.3341 7.8619 118.4208 57.2489 41.3863 177.7318 56 D 4.0476 7.7125 117.7449 57.3222 41.1327 178.2110 57 S 4.2080 7.7759 112.9294 59.0050 63.3034 175.3752 58 G 3.8331 7.8831 110.6602 46.2099 0.0000 175.6202 59 V 3.5975 7.4670 119.6187 65.2879 31.5397 177.7247 60 K 4.0513 8.0164 119.7826 59.5747 32.0778 178.5847 61 N 4.3250 8.0549 116.2639 56.0396 38.3445 176.6421 62 N 4.2019 7.7867 118.3590 56.2526 38.9987 175.1832 63 P 4.2028 0.0000 0.0000 65.6648 31.5379 178.6548 64 I 3.7481 7.5756 118.6259 64.3218 36.9928 178.7211 65 G 3.5720 8.1553 106.4318 47.8013 0.0000 175.9131 66 K 3.9444 8.2103 121.1724 58.8626 32.0398 179.1221 67 A 3.9759 8.8246 122.2707 55.4957 18.2358 179.7489 68 I 3.6506 8.0920 118.4669 64.8452 37.1388 178.7223 69 T 3.8259 7.8330 116.5658 66.7642 68.2388 176.7160 70 I 3.7591 7.6573 121.5722 64.2437 37.1654 178.0990 71 D 4.3334 7.9937 119.7824 57.5924 40.7242 178.8987 72 Q 3.8857 8.2292 118.2673 58.9916 28.6011 178.8948 73 A 3.6919 7.9478 121.6007 54.8896 18.1333 179.5661 74 L 4.0486 7.7280 116.5627 56.8036 41.6732 177.8262 75 N 4.6865 7.3772 115.6677 52.9347 39.1828 174.1877 76 N 3.6923 7.3089 113.1219 53.7761 36.8292 175.3645 77 K 4.3989 7.5378 118.5881 54.7395 31.8026 176.7917 78 F 4.5367 7.9733 117.5061 57.5841 39.4137 176.4386 79 G 3.9193 7.6772 107.0765 48.2908 0.0000 175.8626 80 S 4.1050 8.0258 114.7270 60.8622 62.6018 175.6887 81 A 4.0758 8.0536 123.0250 55.4158 18.1316 179.5224 82 I 3.7338 8.7806 119.1388 64.5298 37.1757 178.6626 83 R 3.9771 8.0742 119.6335 59.1799 29.8366 178.1968 84 N 4.4376 8.7252 119.9603 57.2832 39.0482 177.6596 85 R 4.0073 8.1302 121.9728 61.6592 29.5286 180.1888 86 N 4.5639 8.2485 117.6469 55.8336 38.3202 177.1039 87 W 4.2257 8.0946 128.4101 60.8180 30.9413 177.8027 88 L 3.7746 8.1290 117.2924 57.3592 41.1175 178.8733 89 A 4.2494 7.8589 119.2117 52.3653 19.0833 177.3838 90 D 4.2837 7.4738 118.0781 55.0013 41.4029 177.8482 91 T 3.7612 8.7035 114.3385 64.7196 68.6323 174.8111 92 S 4.4848 7.8088 115.1236 58.1353 63.7979 175.3954 93 R 3.5958 8.0424 122.4737 59.2493 29.5903 176.2706 94 P 4.1011 0.0000 0.0000 65.4786 31.2562 178.4017 95 A 3.9375 7.8320 118.8808 55.0688 18.4021 179.6362 96 K 3.8784 8.0493 116.9354 59.7648 32.0927 179.7159 97 L 4.0549 8.1494 119.5135 57.6812 41.4952 179.2164 98 D 4.2902 8.5090 119.3998 57.4768 40.7521 178.7723 99 E 3.9631 8.5680 119.4507 59.2384 29.5202 178.6956 100 D 4.2524 8.1155 118.0792 57.4734 41.3001 178.3118 101 V 3.6444 8.6671 121.6261 66.7611 31.4746 178.1937 102 N 4.3087 8.2308 118.7298 57.5814 37.2329 178.5699 103 K 4.0291 7.6585 119.6399 59.5537 32.4141 178.6519 104 L 4.1253 7.7814 118.4596 58.3787 41.1274 180.1761 105 R 3.9679 8.2276 117.5110 59.1884 29.7310 178.7192 106 M 4.1392 7.8938 117.3367 58.5024 32.2487 177.8409 107 M 4.2335 7.5525 118.5526 57.5360 33.1619 177.6191 108 L 4.2593 7.3622 119.7952 54.4978 40.7630 176.4362 *112 G 3.7595 7.6587 112.2866 47.4718 0.0000 174.6792 113 I 3.4346 8.5169 116.6227 60.7675 34.5271 172.2210 114 D 4.4106 7.7992 119.2297 58.3873 40.7765 178.3578 115 Q 4.0051 8.1595 121.7717 59.7459 29.0780 178.6334 116 K 3.9421 8.1183 124.1622 60.3569 30.9035 180.4227 117 M 4.2677 8.3446 120.4027 58.0310 31.6362 178.6541 118 R 4.1458 7.7949 117.8088 59.5873 30.2742 178.4507 119 V 3.7304 7.6798 117.2910 66.0367 31.5622 177.9811 120 L 4.2402 8.2413 119.0075 58.0687 41.3023 179.3449 121 N 4.4205 9.5557 115.0341 55.6223 38.5276 176.4187 122 A 4.3254 7.5232 119.9893 52.9105 19.1298 177.2725 123 C 4.4124 7.6375 112.3099 58.8301 30.6873 173.8835 124 F 5.3122 8.0440 116.7213 55.5604 42.6404 174.2819 125 S 4.8268 9.1503 116.0044 56.5208 65.3614 172.6867 126 V 4.8229 8.6020 128.6175 61.9246 33.0929 175.1624 127 K 4.8558 9.3393 130.4788 53.4112 36.7049 171.2749 128 R 4.8125 8.1614 116.7515 56.2697 33.0834 174.4911 129 I 3.9544 8.5715 127.4082 60.3427 37.6864 173.3170 130 P 4.1359 0.0000 0.0000 63.9207 31.3942 176.5468 131 G 3.9702 8.9626 111.6670 45.2598 0.0000 173.5868 132 K 4.3475 7.8340 119.0520 55.5987 33.1354 176.8546 133 S 4.3795 8.3183 115.2616 59.3921 63.9966 174.6081 134 S 4.4583 7.7119 115.2628 57.3927 64.3714 171.9128 135 S 4.9988 8.2059 114.2110 56.6399 66.2603 173.1413 136 I 4.6394 8.8270 119.8921 59.5430 40.5306 174.8457 137 I 4.8842 8.6005 129.3753 60.1130 39.1606 175.6355 138 K 4.8541 9.2179 130.8638 53.8203 34.9851 172.1727 139 C 5.1774 8.3135 117.9008 57.1348 32.4087 173.3213 140 T 4.3631 8.5470 110.5266 61.4751 70.0693 176.3888 141 K 4.1366 8.6971 129.6954 60.3661 31.6603 180.9087 142 L 4.1772 7.9069 122.7869 59.7115 40.7422 181.3413 143 M 4.2609 8.5006 122.1261 59.1003 32.1976 178.6797 144 R 4.1671 8.5019 123.6573 62.6074 29.2913 180.8479 145 D 4.6318 8.6264 123.2189 58.7941 39.8921 181.1407 146 K 4.4221 8.1667 126.7564 60.0914 31.9622 181.5815 147 L 4.4777 8.8224 126.3706 59.7774 41.6106 181.7993 148 E 4.6535 8.7908 121.9435 57.4115 27.5307 178.5712 149 R 4.9341 6.9816 118.6386 56.0047 37.7400 177.8626 150 G 3.8519 7.4962 103.7687 44.7334 0.0000 171.8947 151 E 4.0588 8.2830 118.5014 56.8948 29.8130 176.6774 152 V 4.3532 8.0685 120.8367 62.1011 34.5382 174.8205 153 E 4.4952 8.7243 123.1534 55.0572 30.7821 173.0388 154 V 4.0895 8.2064 120.5022 61.2291 33.5581 171.4323 155 D 4.5904 8.3558 130.1755 54.6100 39.8042 175.1254 156 D 4.4284 8.6297 126.5865 57.9641 39.6690 175.0898 157 S 4.3155 8.0852 114.3007 62.6221 62.3498 176.4473 *158 F 4.0114 7.4506 121.8336 61.8770 37.9951 178.8791 159 V 3.9593 7.9263 121.0517 66.7656 31.2830 178.1176 160 D 4.4859 7.9702 123.0795 59.2586 39.4020 180.9523 161 E 4.5402 8.2216 120.4713 60.2118 29.6173 180.2676 162 K 4.6686 8.1680 120.8426 55.5621 33.0704 182.2530 163 M 3.5667 8.3355 124.5807 55.8828 31.8457 179.4002 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 7 T 8.03 4.33 4.50 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 1.25 0.00 0.00 8 Q 8.24 3.81 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 9 Q 8.81 3.99 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 10 M 7.93 4.06 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 11 A 8.43 3.95 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 12 V 7.81 3.54 2.29 0.00 0.00 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 0.97 0.00 0.00 13 S 8.20 4.10 0.00 4.02 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 14 I 8.24 3.73 2.06 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 1.55 0.97 0.95 0.00 0.00 15 I 8.20 3.88 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.16 1.15 0.00 0.00 16 N 8.29 4.36 0.00 3.09 2.92 0.00 0.00 7.06 7.51 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 17 S 8.29 4.11 0.00 4.05 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 18 S 8.14 4.13 0.00 4.03 4.22 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 19 F 7.70 3.52 0.00 1.60 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 20 E 8.27 3.50 0.00 2.16 1.90 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 2.31 2.47 0.00 21 A 7.91 3.89 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 22 A 7.90 3.89 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 23 V 7.28 3.29 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 0.96 0.00 0.00 -0.05 0.00 0.00 24 V 7.73 3.62 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 1.02 0.00 0.00 1.02 0.00 0.00 25 A 8.18 3.90 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 26 A 7.93 3.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 3.11 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 1.31 0.00 0.00 28 S 8.50 4.26 0.00 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.79 3.92 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 30 L 7.68 3.94 0.00 1.70 2.10 0.91 0.67 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 31 E 8.06 4.04 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 32 N 8.09 4.47 0.00 2.84 2.85 0.00 0.00 7.24 7.69 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 33 M 7.58 4.55 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 34 G 7.94 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 35 I 8.05 4.43 2.07 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 1.19 0.93 0.98 0.00 0.00 36 E 8.76 4.26 0.00 1.99 1.74 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 2.23 1.87 0.00 37 Y 7.38 4.68 0.00 3.01 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.28 4.81 0.00 2.76 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 39 Y 8.86 4.49 0.00 3.20 3.07 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 40 Q 8.44 3.93 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 41 D 8.65 4.33 0.00 2.83 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 42 I 7.96 3.75 1.80 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.75 0.00 0.00 43 Y 8.35 3.70 0.00 2.35 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 44 S 8.42 4.17 0.00 4.05 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 45 R 8.03 3.87 0.00 2.12 1.95 0.00 3.19 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 1.65 1.64 0.00 46 V 7.71 3.68 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 0.86 0.00 0.00 0.94 0.00 0.00 47 K 8.04 3.84 0.00 1.92 1.68 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.18 7.81 48 N 8.11 4.32 0.00 2.96 2.86 0.00 0.00 6.70 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 49 K 7.95 3.99 0.00 1.93 2.05 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.56 7.81 50 F 8.81 3.94 0.00 3.42 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 51 D 8.75 4.38 0.00 2.86 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 52 F 8.42 4.01 0.00 3.23 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 53 V 8.48 3.49 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 0.81 0.00 0.00 1.03 0.00 0.00 54 M 7.95 3.88 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 55 D 7.86 4.33 0.00 2.71 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 56 D 7.71 4.05 0.00 1.58 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 0.00 0.00 0.00 57 S 7.78 4.21 0.00 3.99 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 58 G 7.88 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 59 V 7.47 3.60 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.88 0.00 0.00 60 K 8.02 4.05 0.00 1.90 1.73 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.48 7.81 61 N 8.05 4.33 0.00 2.88 3.01 0.00 0.00 6.73 6.92 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 62 N 7.79 4.20 0.00 2.78 2.94 0.00 0.00 7.15 9.01 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 63 P 0.00 4.20 0.00 2.19 2.08 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 64 I 7.58 3.75 1.95 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 1.45 0.68 0.89 0.00 0.00 65 G 8.16 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 0.00 0.00 0.00 66 K 8.21 3.94 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.58 7.81 67 A 8.82 3.98 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 68 I 8.09 3.65 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 0.88 0.00 0.00 69 T 7.83 3.83 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 70 I 7.66 3.76 2.04 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 1.54 0.90 0.91 0.00 0.00 71 D 7.99 4.33 0.00 2.85 2.68 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 0.00 0.00 0.00 0.00 72 Q 8.23 3.89 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 73 A 7.95 3.69 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 74 L 7.73 4.05 0.00 1.80 1.71 0.91 0.88 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 75 N 7.38 4.69 0.00 2.67 2.79 0.00 0.00 7.24 7.75 0.00 0.00 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 N 7.31 3.69 0.00 2.82 2.92 0.00 0.00 6.66 8.92 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 77 K 7.54 4.40 0.00 1.60 1.62 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.40 7.81 78 F 7.97 4.54 0.00 3.13 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 79 G 7.68 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.03 4.10 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.05 4.08 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 82 I 8.78 3.73 2.18 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.99 0.95 0.00 0.00 83 R 8.07 3.98 0.00 1.90 2.11 0.00 3.07 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 84 N 8.73 4.44 0.00 2.86 3.06 0.00 0.00 7.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.13 4.01 0.00 1.87 1.93 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 86 N 8.25 4.56 0.00 2.83 2.97 0.00 0.00 6.72 7.39 0.00 0.00 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 W 8.09 4.23 0.00 3.36 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.13 3.77 0.00 1.87 1.71 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.86 4.25 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 90 D 7.47 4.28 0.00 2.79 2.56 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 91 T 8.70 3.76 4.21 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 1.19 0.00 0.00 92 S 7.81 4.48 0.00 3.85 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.04 3.60 0.00 1.72 1.71 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.16 0.00 94 P 0.00 4.10 0.00 2.12 2.02 0.00 3.50 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 95 A 7.83 3.94 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 96 K 8.05 3.88 0.00 1.87 1.86 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.60 7.81 97 L 8.15 4.05 0.00 1.58 1.68 0.60 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.51 4.29 0.00 2.95 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 99 E 8.57 3.96 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 100 D 8.12 4.25 0.00 2.89 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 0.00 101 V 8.67 3.64 2.26 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 0.93 0.00 0.00 0.97 0.00 0.00 102 N 8.23 4.31 0.00 2.78 2.82 0.00 0.00 7.06 6.79 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 0.00 103 K 7.66 4.03 0.00 1.87 1.92 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.65 7.81 104 L 7.78 4.13 0.00 1.93 1.74 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.23 3.97 0.00 1.98 1.97 0.00 3.12 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 106 M 7.89 4.14 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 107 M 7.55 4.23 0.00 1.98 2.32 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 108 L 7.36 4.26 0.00 1.83 1.67 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *112 G 7.66 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 0.00 0.00 0.00 113 I 8.52 3.43 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 1.41 0.58 0.91 0.00 0.00 114 D 7.80 4.41 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.01 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 116 K 8.12 3.94 0.00 1.80 1.82 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.12 7.81 117 M 8.34 4.27 0.00 2.03 2.35 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.85 0.00 118 R 7.79 4.15 0.00 1.93 2.17 0.00 3.27 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 119 V 7.68 3.73 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 1.00 0.00 0.00 0.94 0.00 0.00 120 L 8.24 4.24 0.00 1.94 1.89 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 121 N 9.56 4.42 0.00 2.78 2.90 0.00 0.00 7.02 7.23 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 0.00 122 A 7.52 4.33 1.28 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 0.00 0.00 0.00 123 C 7.64 4.41 0.00 2.02 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 0.00 0.00 0.00 0.00 124 F 8.04 5.31 0.00 2.90 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 0.00 125 S 9.15 4.83 0.00 3.90 3.71 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 0.00 126 V 8.60 4.82 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 0.82 0.00 0.00 0.96 0.00 0.00 127 K 9.34 4.86 0.00 1.38 1.63 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.21 7.81 128 R 8.16 4.81 0.00 1.72 1.74 0.00 3.16 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 129 I 8.57 3.95 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.54 0.89 0.00 0.00 130 P 0.00 4.14 0.00 2.02 2.00 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 131 G 8.96 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 0.00 0.00 0.00 132 K 7.83 4.35 0.00 1.86 1.69 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 133 S 8.32 4.38 0.00 3.91 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 0.00 134 S 7.71 4.46 0.00 3.98 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 0.00 135 S 8.21 5.00 0.00 3.92 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 0.00 136 I 8.83 4.64 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.99 0.91 0.00 0.00 137 I 8.60 4.88 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 0.86 0.00 0.00 138 K 9.22 4.85 0.00 1.36 1.63 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.21 7.81 139 C 8.31 5.18 0.00 2.96 3.23 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 0.00 140 T 8.55 4.36 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 1.17 0.00 0.00 141 K 8.70 4.14 0.00 1.78 1.86 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.07 7.81 142 L 7.91 4.18 0.00 1.64 1.72 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 143 M 8.50 4.26 0.00 2.23 2.02 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 2.80 2.50 0.00 144 R 8.50 4.17 0.00 1.81 1.95 0.00 3.33 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 145 D 8.63 4.63 0.00 2.72 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 0.00 146 K 8.17 4.42 0.00 1.86 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.33 7.81 147 L 8.82 4.48 0.00 1.61 1.70 0.92 0.86 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 0.00 148 E 8.79 4.65 0.00 2.02 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 2.26 2.19 0.00 149 R 6.98 4.93 0.00 1.78 1.79 0.00 3.31 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 150 G 7.50 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 0.00 151 E 8.28 4.06 0.00 2.08 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 0.00 2.30 2.40 0.00 152 V 8.07 4.35 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 0.80 0.00 0.00 1.01 0.00 0.00 153 E 8.72 4.50 0.00 2.02 1.71 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 2.19 1.85 0.00 154 V 8.21 4.09 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 0.95 0.00 0.00 0.92 0.00 0.00 155 D 8.36 4.59 0.00 2.92 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 0.00 156 D 8.63 4.43 0.00 2.68 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 0.00 157 S 8.09 4.32 0.00 3.87 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 F 7.45 4.01 0.00 2.39 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 0.00 0.00 0.00 0.00 159 V 7.93 3.96 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 0.91 0.00 0.00 160 D 7.97 4.49 0.00 2.67 2.68 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 0.00 0.00 0.00 0.00 161 E 8.22 4.54 0.00 2.07 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 2.26 2.20 0.00 162 K 8.17 4.67 0.00 1.67 1.65 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.20 7.81 163 M 8.34 3.57 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.