NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4335 8.3149 122.0464 56.3381 33.5141 174.5412 3 I 4.3272 8.7062 129.2977 58.9771 39.5172 173.5005 4 D 5.0197 9.5881 129.1379 54.3219 42.0801 175.6377 5 I 4.2817 8.4372 123.5600 60.2872 40.7683 176.5692 6 L 3.7495 8.3418 124.2138 55.9107 39.7183 174.8079 7 D 4.7383 9.0073 117.6590 56.5273 40.1695 178.2903 8 K 4.4636 7.9782 114.0559 56.0212 35.2442 175.8107 9 G 4.0976 7.9824 108.6283 45.5793 0.0000 172.4659 10 F 5.2882 7.9666 112.9869 56.2998 41.7881 173.2153 11 V 4.9336 8.8985 119.3137 61.2485 34.4549 173.6853 12 E 4.9814 9.6648 128.9650 54.1641 32.8298 174.1427 13 L 4.3069 8.6406 129.1744 55.0974 42.2735 176.1569 14 V 3.8507 8.7539 127.3763 65.1760 32.2359 175.1662 15 D 4.5535 7.4366 117.3246 53.8612 44.7809 174.1565 16 V 4.5805 6.9732 118.9343 61.4952 33.6000 172.5245 *18 G 4.1424 8.5795 106.7451 46.4037 0.0000 169.9880 19 N 4.7022 7.8364 113.2895 51.2228 39.0871 173.8984 20 D 4.5254 8.8434 116.0953 58.4970 40.6664 178.7969 21 L 4.0902 9.0583 119.7311 57.5656 41.5387 179.5792 22 S 3.8460 8.2055 115.3408 61.5406 62.7186 176.5620 23 A 4.0325 7.8987 122.9726 54.8491 18.1968 179.7314 24 V 3.4929 7.4520 116.8581 66.1199 31.5812 178.4665 25 R 3.8412 8.6774 118.6094 59.1767 29.6729 178.8714 26 A 3.7307 7.8020 119.0949 55.0035 18.4101 179.0921 27 A 3.9804 7.9868 118.4053 55.4039 18.5769 179.6479 28 R 3.9854 7.8894 114.0182 55.9855 31.3056 176.5500 29 V 3.1462 7.5058 117.8495 62.6905 30.0175 170.3158 30 S 4.6043 6.9438 111.7798 58.7324 65.6506 175.3739 31 F 4.4327 9.1071 121.4355 56.6190 39.2369 175.6694 *38 E 4.2591 8.0995 124.7430 56.6460 32.4315 174.5361 *39 E 4.2210 7.8525 118.7919 60.4960 30.5140 181.1150 40 R 4.2801 7.8150 115.9643 59.2287 30.3252 178.4828 41 D 4.3765 7.9103 118.6599 57.3508 41.1034 178.5093 42 R 3.5349 7.1370 118.4060 59.3062 29.8390 178.0588 43 H 4.1859 7.8543 117.8837 58.8117 29.7341 177.1093 44 L 3.9039 7.8827 122.3007 58.1288 41.7720 178.7286 45 I 3.9577 7.6944 118.4196 64.7286 37.2182 177.8429 46 E 4.2264 7.9323 117.4399 59.6322 29.5070 178.3642 47 Y 4.1152 7.9879 119.3922 60.6765 38.7428 178.7436 48 L 4.2958 8.1678 115.9824 55.6940 41.2371 178.8588 *50 K 4.0483 7.9565 118.9442 56.6483 34.0908 175.9585 51 H 4.4064 7.7534 115.4088 55.1078 28.7578 175.3727 52 G 3.9155 8.1372 106.5775 46.4613 0.0000 174.5981 53 H 4.7362 8.1153 121.2551 54.9896 28.3770 174.4430 54 E 4.6264 8.5343 124.7192 58.5396 30.4961 178.9652 55 T 4.0476 8.3055 109.4935 64.9636 68.3093 174.1407 56 P 4.1497 0.0000 0.0000 65.0924 30.8821 177.9165 57 F 4.5746 8.0706 115.3694 58.9926 38.7199 176.7183 58 E 4.3896 8.1684 117.9756 58.1253 29.3869 176.7704 59 H 4.6370 7.6534 115.1890 55.6159 29.0816 174.5169 60 I 4.4921 7.5133 121.4843 59.4024 39.7042 174.8248 61 V 4.8112 7.9596 125.5861 61.0554 35.0555 174.0011 62 F 4.9194 9.2496 125.1970 55.8426 43.2116 174.2755 63 T 4.8917 8.3838 117.1483 62.0185 71.6457 173.2764 64 F 5.2230 9.5262 125.2940 55.8587 42.9590 174.1427 65 H 4.9924 9.6493 121.8382 54.4891 32.0847 172.7264 66 V 4.5401 8.2989 126.2464 60.6178 34.5074 173.9781 67 K 4.5765 8.1306 128.6893 54.5873 34.1073 174.5185 68 A 5.4517 8.7025 128.2067 49.6426 23.3515 173.5559 69 P 4.1784 0.0000 0.0000 62.1109 32.1464 177.9927 70 I 3.4932 8.3448 123.4907 64.6449 36.8461 178.8713 71 F 4.2377 8.2431 115.1523 59.5110 37.5772 177.7637 72 V 3.3389 6.8323 118.8751 65.3929 31.3566 177.7552 73 A 3.8906 7.5346 120.0035 55.1795 17.9763 179.4806 74 R 3.6369 7.8049 115.7684 59.5548 30.3901 179.0222 75 Q 4.1490 7.6494 117.2423 58.5532 28.7046 178.5554 76 W 4.2793 8.3090 129.4068 60.6438 30.6563 177.8497 77 F 3.3767 8.6836 115.5528 59.1833 38.2571 177.2346 78 R 4.3516 7.6577 117.1328 57.7901 30.1105 176.3820 79 H 4.6573 8.2391 115.9963 54.8953 27.6471 175.3757 80 R 4.2480 8.5671 124.5422 58.5969 30.7136 178.2370 81 I 4.1381 7.6094 120.2059 58.2924 35.5641 173.4527 82 A 4.3212 7.0405 122.3149 51.5987 22.6306 176.2463 83 S 4.7922 8.4065 115.2588 57.0358 65.7566 173.5474 84 Y 5.3266 8.5712 120.4932 56.4516 41.8218 175.1401 85 N 4.9768 9.3492 119.6980 52.2710 42.4765 173.1531 86 E 5.3784 8.8812 124.4284 53.7908 32.7686 175.4252 87 L 4.1976 8.4851 126.5801 55.6093 42.5574 178.1177 *88 S 4.3249 8.7797 119.9311 57.6932 62.7962 174.0238 89 G 3.6637 8.6222 114.8801 46.9105 0.0000 174.8628 90 R 3.9191 7.8588 118.3528 58.1757 30.3898 176.8055 91 Y 4.8361 7.6168 111.5075 57.7853 40.8625 176.5788 92 S 4.5457 7.9495 120.0496 58.3470 63.4432 174.8719 *96 Y 4.1428 8.1245 117.3657 58.7902 37.9373 173.5585 97 E 4.8695 7.7359 122.6008 54.2398 33.4339 174.5971 98 F 5.4000 8.7577 119.2962 55.8177 43.0936 174.0892 99 Y 5.1849 9.1331 124.2176 56.9578 39.1353 175.0953 100 I 4.0809 8.6837 129.0189 58.5681 37.9493 174.0399 101 P 4.1064 0.0000 0.0000 62.6228 31.8728 176.7184 102 S 4.5743 8.3853 115.1943 56.9166 64.7217 173.3314 103 P 4.1637 0.0000 0.0000 65.9013 31.1053 178.5359 104 E 3.9758 8.1348 117.2754 58.8020 29.3095 178.5575 105 R 3.6011 7.8643 118.3190 58.3517 29.7676 176.6435 106 L 4.5951 7.4958 117.5687 54.3062 41.9102 175.2222 107 E 4.2852 7.7287 120.3886 56.6016 30.0280 176.1134 108 G 3.8790 8.8788 114.1458 45.4391 0.0000 173.0711 109 Y 4.5543 7.1459 117.1524 55.7345 39.3947 175.5670 110 K 4.1807 8.7763 125.3663 56.3928 32.5042 176.4926 111 T 4.7203 8.1309 113.8354 59.7763 71.2458 174.7365 112 T 4.0276 8.4788 119.4890 65.4888 68.8122 174.6698 113 I 4.6288 7.2210 112.6882 57.6725 40.6902 173.3942 114 P 4.3803 0.0000 0.0000 61.9587 32.0441 175.6814 115 P 4.2351 0.0000 0.0000 66.0067 31.1970 178.8433 116 E 3.9434 8.1766 115.3339 59.1554 29.2824 179.4307 117 R 3.8422 8.2771 119.8547 59.1627 30.2201 178.8083 118 V 3.5395 7.7410 117.4978 66.4220 31.4670 177.9086 119 T 3.8140 8.1155 115.5192 66.6634 68.2192 176.4064 120 E 3.9337 8.2517 120.4612 59.4697 29.5355 179.6269 121 K 3.9392 8.3929 118.8461 59.3788 32.0713 179.5316 122 I 3.6395 7.7965 120.0667 64.5770 37.0577 178.6556 123 S 4.1188 8.0201 115.9097 61.4358 62.5464 176.7443 124 E 3.8921 8.2390 121.4120 59.5296 29.2122 179.3992 125 I 3.6443 7.6732 119.7003 64.3417 37.0973 178.4895 126 V 3.2190 7.6759 119.0393 66.0413 31.1369 177.5670 127 D 4.2793 7.9725 117.4726 57.2722 41.0171 178.4111 128 K 3.9326 8.0967 118.7565 59.3162 31.9986 179.1596 129 A 3.9810 8.6790 121.6818 55.4238 18.3567 179.0662 130 Y 4.2750 8.1611 118.1497 60.9856 38.8527 178.4241 131 R 3.7543 8.2596 119.1049 59.5612 30.0891 179.1995 132 T 3.8460 8.1633 115.7127 66.5475 68.3670 176.0671 133 Y 4.0815 8.2305 121.6168 60.8477 38.8829 178.2438 134 L 3.3993 7.6039 119.7428 57.4196 41.4826 179.1929 135 E 3.8160 7.8662 119.3077 59.1660 29.6075 178.8812 136 L 3.9182 7.9497 119.1647 57.8901 41.6963 179.6371 137 I 3.7468 7.5041 119.7272 64.3726 36.7650 178.3982 138 E 3.9952 8.2820 118.6206 58.8811 29.3155 178.6280 139 S 4.4466 7.3952 112.8868 58.5603 63.3072 174.9160 140 G 3.9716 7.8321 110.3202 44.8067 0.0000 174.2916 141 V 3.6718 7.2988 120.4542 61.7603 32.0427 174.5811 142 P 4.3676 0.0000 0.0000 62.7691 33.0295 177.5136 143 R 4.0556 8.7186 121.0364 59.4973 29.8856 179.0999 144 E 3.9548 8.1494 115.7029 58.6252 29.5684 178.3813 145 V 4.0423 7.4959 118.1019 64.8585 32.0450 177.4101 146 A 4.1613 8.3400 121.0070 54.9791 18.2465 179.5191 147 R 4.0001 8.4803 114.4432 58.5135 29.3280 178.7289 148 I 3.8570 7.4776 113.1796 63.4019 37.5929 177.6939 149 V 3.9309 7.3553 112.2819 61.6295 32.0974 176.4859 150 L 4.2451 7.2530 119.6556 53.7894 42.2768 175.3415 151 P 4.5876 0.0000 0.0000 62.3252 32.3513 177.0665 152 L 4.3131 8.5154 119.0041 56.8492 42.4838 177.8859 153 N 5.0711 8.2933 116.1780 52.7120 38.9235 174.5030 154 L 4.1510 8.0702 123.4870 55.5101 43.2296 175.7236 155 Y 4.5238 8.5796 124.6806 58.1702 38.7550 174.6426 156 T 4.7489 9.1644 117.3151 60.4056 71.9616 172.3224 157 R 5.2351 8.2674 121.3312 54.6102 34.5760 174.4644 158 F 5.5133 8.5407 115.4432 56.3208 41.9032 172.8386 159 F 5.3211 9.7206 119.5377 56.1893 41.3697 174.9443 160 W 5.3238 9.4376 132.2845 56.2127 33.7625 173.7274 161 T 5.0355 8.6570 124.9796 61.7225 70.2893 174.1156 162 V 4.5195 8.2111 125.2523 60.1158 35.2114 174.2540 163 N 5.0201 8.5179 119.9297 51.6863 38.8215 175.8762 164 A 3.8138 8.7943 121.2163 55.0892 18.3277 179.7573 165 R 3.9701 8.0050 116.0638 59.7861 30.5914 178.3339 166 S 4.3257 8.5759 113.0673 60.8447 62.3291 176.2162 167 L 4.1780 7.7404 122.6132 55.0900 41.8710 178.1477 *169 N 4.7103 8.1791 117.4310 53.1213 41.0123 175.8366 170 F 4.0404 8.5334 119.7729 61.4076 39.4064 177.1845 171 L 4.0887 8.3433 118.6018 57.7887 41.2116 179.0608 172 N 4.5703 8.4785 115.2771 56.2511 38.5772 176.5897 173 L 4.2378 7.6537 118.5043 56.7757 42.3860 178.6079 174 R 4.0774 8.1698 117.0395 56.2777 31.6247 176.5379 175 A 4.6542 7.6291 124.4635 49.7514 17.7202 175.3065 176 D 5.0057 7.2668 120.7880 52.0069 44.7015 176.2452 177 S 4.3393 9.3272 119.9811 61.0769 63.1132 175.3558 178 H 4.2964 8.0473 117.4051 57.9384 28.7797 175.8279 179 A 4.2816 7.5746 121.2956 51.1128 19.2872 177.4372 180 Q 4.1981 8.4732 120.3346 55.7581 31.0741 176.9276 181 W 4.3399 9.1714 135.0000 61.0855 30.3660 177.9654 182 E 3.6907 8.6343 117.6279 59.5411 28.9504 179.0051 183 I 3.9689 7.7184 117.5752 63.4289 38.0372 177.6303 184 Q 4.2734 7.6618 120.3914 58.4778 28.3722 178.5934 185 Q 3.6785 7.3571 118.4388 59.2662 28.7812 178.8243 186 Y 3.8702 7.5575 115.9986 60.8222 37.8034 178.2223 187 A 4.0881 8.3062 122.2710 54.9194 18.3211 179.7629 188 L 3.9056 8.1777 117.7507 57.8840 41.7321 179.5148 189 A 3.9815 7.7050 120.7234 55.1409 18.2558 179.6495 190 I 3.5346 7.9871 118.1783 64.5896 37.1235 178.5512 191 A 4.1690 8.3501 121.7705 54.9631 18.2243 179.5352 192 R 3.6569 8.2276 117.6597 59.7962 30.3015 178.8905 193 I 3.7759 7.8861 119.4500 64.1975 37.0633 178.1719 194 F 4.2901 8.3983 121.6806 61.3357 39.0909 177.0689 195 K 3.3497 7.7850 119.4538 59.2759 31.5628 178.3759 196 E 3.9762 7.7216 118.2011 58.8343 29.6094 178.3453 197 K 4.2924 7.9161 117.2441 57.6637 33.9464 177.0659 198 C 4.8322 8.3947 116.6201 56.2836 29.1851 172.5000 199 P 4.3863 0.0000 0.0000 65.2492 31.1209 178.7111 200 W 4.4618 8.1714 118.2374 59.7367 29.1212 178.5104 201 T 3.9903 8.7094 115.9923 66.5590 67.8784 176.4396 202 F 3.9140 8.2354 122.6537 61.3535 39.3445 177.0690 203 E 3.8556 8.5205 117.9448 59.2597 29.2028 179.1579 204 A 4.1296 8.3073 120.9358 55.0723 18.3895 179.2287 205 F 4.2675 8.6450 119.4138 61.6892 39.2375 177.2727 206 L 3.4737 7.3093 116.9473 57.5369 41.4339 179.2793 207 K 3.7871 7.8409 118.3886 58.9277 32.1649 177.5706 208 Y 4.6676 8.1576 114.6099 57.8784 39.7793 176.2918 209 A 4.6747 7.8083 119.0020 51.6444 21.1782 175.5338 210 Y 3.9496 7.6410 118.0779 57.7671 38.8022 175.9291 211 K 4.0372 9.6737 127.0413 56.2241 33.2096 176.9163 212 G 3.8763 5.6405 107.7290 44.1675 0.0000 172.5311 213 D 4.7379 8.0511 116.6839 54.8564 40.7673 178.2092 214 I 3.8082 7.8727 114.1272 63.6842 37.1838 177.8193 215 L 3.7699 8.3225 119.4138 56.6168 41.4636 178.3946 216 K 4.3550 7.9025 116.1032 56.6793 32.4216 176.6942 217 E 4.3635 7.8795 117.7196 57.2270 31.5849 176.1624 218 V 3.9687 8.4122 120.4296 61.0244 30.9734 175.1684 219 Q 3.8247 8.6960 128.3239 57.7055 29.2761 176.8756 220 V 3.6300 8.5446 123.1514 63.5174 32.5315 171.8822 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 K 8.31 4.43 0.00 1.63 1.69 0.00 1.25 0.00 0.00 1.44 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.17 7.81 3 I 8.71 4.33 1.89 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 1.23 0.74 0.89 0.00 0.00 4 D 9.59 5.02 0.00 2.57 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.44 4.28 1.10 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.42 -0.10 0.00 0.00 6 L 8.34 3.75 0.00 1.90 1.67 0.54 0.91 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 7 D 9.01 4.74 0.00 2.99 3.16 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 8 K 7.98 4.46 0.00 1.05 1.40 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.30 1.45 7.81 9 G 7.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.97 5.29 0.00 3.03 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 11 V 8.90 4.93 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 1.15 0.00 0.00 1.22 0.00 0.00 12 E 9.66 4.98 0.00 1.88 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 2.13 2.12 0.00 13 L 8.64 4.31 0.00 1.68 1.53 0.59 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.75 3.85 1.94 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 0.69 0.00 0.00 0.32 0.00 0.00 15 D 7.44 4.55 0.00 2.63 2.32 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 16 V 6.97 4.58 1.86 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 0.63 0.00 0.00 0.78 0.00 0.00 *18 G 8.58 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.84 4.70 0.00 2.77 2.81 0.00 0.00 5.95 8.07 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 20 D 8.84 4.53 0.00 2.38 2.99 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 21 L 9.06 4.09 0.00 1.79 1.70 0.93 0.79 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 22 S 8.21 3.85 0.00 3.96 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 23 A 7.90 4.03 1.11 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 0.00 0.00 24 V 7.45 3.49 2.27 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 1.09 0.00 0.00 1.12 0.00 0.00 25 R 8.68 3.84 0.00 1.86 1.63 0.00 2.42 0.00 0.00 2.74 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 26 A 7.80 3.73 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 27 A 7.99 3.98 1.26 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 0.00 0.00 0.00 28 R 7.89 3.99 0.00 1.76 1.97 0.00 3.30 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 29 V 7.51 3.15 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 0.72 0.00 0.00 0.97 0.00 0.00 30 S 6.94 4.60 0.00 4.05 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 31 F 9.11 4.43 0.00 2.94 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 *38 E 8.10 4.26 0.00 1.92 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 1.88 0.00 *39 E 7.85 4.22 0.00 1.97 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 1.96 0.00 40 R 7.81 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0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.37 7.81 111 T 8.13 4.72 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 1.27 0.00 0.00 112 T 8.48 4.03 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 1.20 0.00 0.00 113 I 7.22 4.63 1.85 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 1.39 0.65 0.90 0.00 0.00 114 P 0.00 4.38 0.00 2.19 2.08 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 115 P 0.00 4.24 0.00 2.13 2.24 0.00 3.59 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 2.11 2.16 0.00 116 E 8.18 3.94 0.00 2.14 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 2.35 2.34 0.00 117 R 8.28 3.84 0.00 2.01 1.99 0.00 3.29 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 118 V 7.74 3.54 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 1.00 0.00 0.00 0.89 0.00 0.00 119 T 8.12 3.81 4.37 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 1.22 0.00 0.00 120 E 8.25 3.93 0.00 2.23 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 2.32 2.46 0.00 121 K 8.39 3.94 0.00 1.86 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.64 7.81 122 I 7.80 3.64 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 0.81 0.00 0.00 123 S 8.02 4.12 0.00 4.02 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 0.00 124 E 8.24 3.89 0.00 2.18 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 2.49 0.00 125 I 7.67 3.64 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.13 0.87 0.00 0.00 126 V 7.68 3.22 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 0.12 0.00 0.00 0.83 0.00 0.00 127 D 7.97 4.28 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.10 3.93 0.00 1.97 1.82 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.57 7.81 129 A 8.68 3.98 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 0.00 130 Y 8.16 4.28 0.00 2.94 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 0.00 131 R 8.26 3.75 0.00 2.08 1.92 0.00 3.22 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 132 T 8.16 3.85 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 0.00 133 Y 8.23 4.08 0.00 3.08 3.18 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 0.00 134 L 7.60 3.40 0.00 1.55 1.40 0.31 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.87 3.82 0.00 2.09 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 0.00 2.24 2.29 0.00 136 L 7.95 3.92 0.00 1.78 1.64 0.95 1.00 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 0.00 137 I 7.50 3.75 1.51 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.24 0.76 0.00 0.00 138 E 8.28 4.00 0.00 1.96 1.94 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 2.27 2.40 0.00 139 S 7.40 4.45 0.00 3.92 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 0.00 140 G 7.83 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 0.00 0.00 0.00 141 V 7.30 3.67 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 0.79 0.00 0.00 0.95 0.00 0.00 142 P 0.00 4.37 0.00 2.20 1.97 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 143 R 8.72 4.06 0.00 1.87 2.10 0.00 3.30 0.00 0.00 3.53 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 144 E 8.15 3.95 0.00 2.03 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 2.22 2.34 0.00 145 V 7.50 4.04 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 1.08 0.00 0.00 0.93 0.00 0.00 146 A 8.34 4.16 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 0.00 147 R 8.48 4.00 0.00 2.03 2.42 0.00 2.76 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 148 I 7.48 3.86 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.62 0.98 0.00 0.00 149 V 7.36 3.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.12 0.00 0.00 150 L 7.25 4.25 0.00 1.77 1.76 0.57 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.59 0.00 2.43 2.18 0.00 3.89 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.86 0.00 152 L 8.52 4.31 0.00 1.67 1.91 0.91 0.55 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 0.00 153 N 8.29 5.07 0.00 3.17 3.22 0.00 0.00 5.90 6.67 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 0.00 154 L 8.07 4.15 0.00 1.98 1.65 0.39 0.93 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 0.00 155 Y 8.58 4.52 0.00 2.81 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 0.00 156 T 9.16 4.75 4.14 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 0.00 0.00 1.26 0.00 0.00 157 R 8.27 5.24 0.00 1.79 1.82 0.00 3.35 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 158 F 8.54 5.51 0.00 3.44 3.29 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 0.00 159 F 9.72 5.32 0.00 2.95 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 0.00 160 W 9.44 5.32 0.00 3.29 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.66 5.04 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 1.10 0.00 0.00 162 V 8.21 4.52 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 0.00 0.00 -0.44 0.00 0.00 0.64 0.00 0.00 163 N 8.52 5.02 0.00 3.18 2.93 0.00 0.00 6.02 7.00 0.00 0.00 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 8.79 3.81 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 R 8.01 3.97 0.00 1.91 2.01 0.00 3.30 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.03 0.00 166 S 8.58 4.33 0.00 3.94 3.78 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 0.00 167 L 7.74 4.18 0.00 1.49 1.25 0.13 -0.44 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 *169 N 8.18 4.71 0.00 2.95 3.12 0.00 0.00 6.70 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 F 8.53 4.04 0.00 3.30 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 0.00 171 L 8.34 4.09 0.00 2.00 1.96 1.16 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.48 4.57 0.00 3.03 2.96 0.00 0.00 6.88 7.85 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 0.00 173 L 7.65 4.24 0.00 1.55 1.65 1.04 0.68 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 0.00 174 R 8.17 4.08 0.00 0.78 1.38 0.00 2.98 0.00 0.00 2.91 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 175 A 7.63 4.65 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 0.00 176 D 7.27 5.01 0.00 2.72 2.46 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 0.00 177 S 9.33 4.34 0.00 3.96 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 H 8.05 4.30 0.00 3.22 3.42 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 7.57 4.28 1.23 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 0.00 0.00 180 Q 8.47 4.20 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.89 2.58 0.00 181 W 9.17 4.34 0.00 3.54 3.39 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 0.00 0.00 0.00 0.00 182 E 8.63 3.69 0.00 2.32 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 2.82 2.61 0.00 183 I 7.72 3.97 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.33 0.93 0.00 0.00 184 Q 7.66 4.27 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 185 Q 7.36 3.68 0.00 1.74 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.19 1.16 0.00 186 Y 7.56 3.87 0.00 3.18 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 0.00 187 A 8.31 4.09 1.22 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 0.00 0.00 188 L 8.18 3.91 0.00 1.79 1.69 0.88 1.26 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 0.00 189 A 7.70 3.98 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 0.00 190 I 7.99 3.53 2.07 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.72 0.76 0.00 0.00 191 A 8.35 4.17 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 3.66 0.00 2.06 2.01 0.00 3.24 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 193 I 7.89 3.78 2.27 0.00 0.00 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 1.51 1.19 1.10 0.00 0.00 194 F 8.40 4.29 0.00 2.85 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 0.00 195 K 7.79 3.35 0.00 0.79 1.38 0.00 1.42 0.00 0.00 1.33 0.00 0.00 2.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.20 1.19 7.81 196 E 7.72 3.98 0.00 1.96 1.94 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 2.28 2.31 0.00 197 K 7.92 4.29 0.00 2.17 1.94 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.73 1.79 7.81 198 C 8.39 4.83 0.00 2.87 3.02 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 0.00 199 P 0.00 4.39 0.00 2.33 2.36 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 200 W 8.17 4.46 0.00 3.68 3.24 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 0.00 201 T 8.71 3.99 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 1.16 0.00 0.00 202 F 8.24 3.91 0.00 2.61 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.52 3.86 0.00 2.14 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 2.72 2.59 0.00 204 A 8.31 4.13 1.59 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 0.00 0.00 205 F 8.65 4.27 0.00 3.01 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 0.00 206 L 7.31 3.47 0.00 1.47 1.44 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 207 K 7.84 3.79 0.00 1.53 1.44 0.00 1.52 0.00 0.00 1.23 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.02 7.81 208 Y 8.16 4.67 0.00 2.93 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 A 7.81 4.67 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 0.00 210 Y 7.64 3.95 0.00 1.43 2.30 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 0.00 211 K 9.67 4.04 0.00 1.51 1.67 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.61 7.81 212 G 5.64 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 D 8.05 4.74 0.00 2.86 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 0.00 214 I 7.87 3.81 1.93 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 1.86 0.89 0.97 0.00 0.00 215 L 8.32 3.77 0.00 0.92 1.46 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 216 K 7.90 4.35 0.00 1.95 1.86 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.64 7.81 217 E 7.88 4.36 0.00 2.10 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 2.22 2.22 0.00 218 V 8.41 3.97 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 0.76 0.00 0.00 0.98 0.00 0.00 219 Q 8.70 3.82 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.99 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 220 V 8.54 3.63 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 0.69 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.