NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0067 8.3049 120.3297 56.4942 33.6215 174.8026 2 Y 4.2838 8.1912 121.8138 56.3442 34.5682 167.2655 3 P 4.8351 0.0000 0.0000 63.0178 33.8679 176.8383 4 V 5.4951 7.9348 119.1132 61.3199 34.5904 173.6182 5 D 5.2324 9.0148 126.5045 52.6569 44.2227 175.3144 6 L 4.7781 8.3269 120.8006 54.7882 43.6577 176.2210 7 H 4.9901 8.5531 119.9558 54.9977 32.2494 171.5514 8 M 5.2438 8.2782 123.1921 54.5154 35.0164 173.2341 9 H 5.3903 9.0220 116.5618 54.3190 32.5085 173.5037 10 T 5.4950 9.1597 112.3600 59.1242 71.7613 175.4937 11 V 3.9828 8.5698 113.0915 62.8849 31.4373 177.4479 12 A 4.0377 7.7225 122.8806 54.1469 18.5943 177.8515 13 S 5.0409 8.1663 111.9534 55.9754 64.8578 175.5551 14 T 3.9398 9.0006 115.3168 64.1662 68.7425 174.8734 15 H 4.4357 8.3944 116.6590 55.3739 28.6683 174.3925 16 A 4.5959 7.1322 122.1356 50.9333 21.5951 176.0184 17 Y 4.8580 8.8116 113.8262 57.4679 40.5429 175.8696 18 S 4.8525 7.9310 116.0909 56.5154 66.5048 173.2474 19 T 4.7720 8.4753 113.6550 59.6973 71.9906 175.4149 20 L 3.9926 8.4546 122.6398 58.7566 41.7693 179.2377 21 S 4.0557 7.9557 113.2177 61.3892 62.8337 176.0112 22 D 4.1168 7.7276 121.9371 57.2988 40.4641 178.2457 23 Y 3.7883 7.5926 117.0365 60.9783 37.8438 178.6133 24 I 3.6955 7.9987 120.6371 64.5152 37.2771 178.2623 25 A 3.9270 7.9808 121.2782 55.2204 18.2333 179.4746 26 Q 3.7546 8.1125 117.9605 58.9979 29.0296 178.0496 27 A 3.8836 8.0536 122.2305 55.1130 18.5607 179.2834 28 K 3.7896 7.9492 117.8801 60.0681 32.0058 178.9147 29 Q 4.1167 7.8459 116.6397 58.2191 28.6942 177.9606 30 K 4.4522 7.9470 116.4259 55.1712 32.5017 176.7360 31 G 3.8807 7.4798 105.8678 46.4569 0.0000 173.9021 32 I 4.0890 7.8272 121.1788 60.6386 37.6826 176.3669 33 K 4.3861 9.0220 125.2765 57.8239 33.6935 176.5390 34 L 5.1412 7.7677 121.4632 53.6981 45.6848 174.3004 35 F 6.0979 8.9984 118.9388 55.5725 41.8144 172.7422 36 A 5.3938 8.6290 120.3092 49.3157 22.4641 174.9595 37 I 4.5029 8.4493 121.9330 60.3076 39.3629 175.5044 38 T 5.1489 8.7690 116.7581 59.8922 68.3818 172.9065 39 D 4.8211 8.3173 128.2186 54.9736 42.8521 175.6553 40 H 4.6415 9.0693 118.3722 56.2115 29.5119 175.7537 41 G 3.7956 8.8803 109.9477 45.6779 0.0000 172.9017 42 P 4.7223 0.0000 0.0000 65.0664 31.6356 177.5424 43 D 4.4508 8.0512 118.3990 56.6479 41.0185 176.6139 44 M 4.2938 7.5535 118.1225 54.6795 32.7226 175.7539 45 E 4.0297 8.6078 123.4585 57.7085 30.0005 176.3893 46 D 4.7687 8.7898 118.0033 55.3576 39.7848 172.8567 47 A 4.7854 7.2078 118.1018 48.7354 21.6695 175.3451 48 P 4.4976 0.0000 0.0000 62.1019 32.4625 175.8184 49 H 4.2535 8.5288 118.4311 56.2314 30.5321 175.7994 50 H 4.5765 8.4642 119.9028 58.5087 28.1402 177.7474 51 W 4.4508 8.1969 121.4430 59.6764 28.6536 177.3193 52 H 3.9954 8.1437 117.9780 59.2508 29.3616 176.7957 53 F 4.1899 8.0424 118.8830 60.2198 39.0126 177.8947 54 I 3.7159 7.9307 118.9551 64.3713 36.9772 176.9617 55 N 4.6570 8.3569 115.6284 54.4510 38.9607 176.2283 56 M 3.2542 7.5936 119.9762 57.7988 31.5870 178.1872 57 R 3.9045 7.1619 114.9243 58.8136 29.4720 178.0981 58 I 3.9994 7.4245 111.9035 61.1411 38.3028 176.3702 59 W 4.5170 7.5514 121.5413 55.7353 29.5380 174.3276 60 P 4.4849 0.0000 0.0000 63.1943 31.6066 176.7372 61 R 4.2236 8.6774 119.2585 58.2828 30.6013 176.9189 62 V 4.9244 7.6800 115.5269 60.8593 34.2929 174.5107 63 V 4.3970 8.5085 125.9984 62.4538 34.1672 174.9124 64 D 4.5168 9.9459 126.0115 55.4263 38.3811 175.0968 65 G 3.9762 8.4454 106.2601 45.4523 0.0000 174.1586 66 V 4.2503 7.9677 121.5757 61.6888 33.1655 175.6283 67 G 3.8359 8.6880 115.5510 46.1070 0.0000 172.4871 68 I 4.4889 8.7655 123.2365 59.1397 40.0593 175.0497 69 L 4.7801 8.8712 127.9683 53.7105 43.9651 176.2184 70 R 4.4007 9.3210 122.9123 55.0351 31.3744 175.6705 71 G 5.0015 8.5152 111.1866 45.3871 0.0000 170.6042 72 I 4.7637 8.0002 117.6114 59.5289 41.9810 173.6701 73 E 4.9642 9.0740 130.1101 54.4496 29.6567 174.7092 74 A 4.4874 9.1783 128.3023 51.5332 20.2374 175.5285 75 N 5.2571 9.4782 118.0635 51.3068 40.8736 174.5307 76 I 3.8159 7.9621 124.6888 62.3543 37.0625 176.1406 77 K 4.5092 10.1237 128.3947 58.7729 32.8793 176.9779 78 N 5.1555 8.0026 114.6652 51.5403 39.9140 175.4248 79 V 3.8653 8.5830 111.9853 64.6551 31.6115 177.4136 80 D 4.5137 8.3255 116.5173 54.4541 40.3581 176.4401 81 G 3.9094 8.4412 107.2432 46.3564 0.0000 174.2310 82 E 4.4335 8.3163 119.1870 56.0573 30.6576 175.9898 83 I 4.9716 8.2578 114.1218 57.3229 41.1942 174.3874 84 D 4.6838 8.1772 121.9141 53.6480 38.2412 176.7236 85 C 4.2606 7.4931 117.6388 57.7123 33.9505 173.9037 86 S 4.5959 8.1392 122.5981 57.3439 65.3299 175.1475 87 G 3.8125 8.5396 107.9622 48.0092 0.0000 176.0282 88 K 4.2082 7.9974 119.5003 59.2958 32.4321 178.9785 89 M 4.1838 7.8821 118.5728 58.4380 31.9335 178.3888 90 F 4.2646 7.9562 118.1833 61.2128 38.9714 177.7083 91 D 4.4690 8.2053 116.4394 57.1892 40.6487 178.4127 92 S 4.4180 7.9670 113.6527 58.2423 63.5218 174.0326 93 L 4.8148 7.0578 120.9499 53.1821 43.8735 175.6546 94 D 4.7431 8.9996 120.7144 55.2031 42.6397 176.9997 95 L 4.7431 7.8127 119.8491 53.1110 45.5195 175.3123 96 I 4.5281 8.8752 126.5072 59.8972 39.5591 174.4146 97 I 4.8803 8.4274 128.2346 59.9078 39.5874 175.0815 98 A 5.0651 8.5544 125.5277 50.8555 23.2829 175.2158 99 G 3.8517 8.5504 105.8868 45.3926 0.0000 172.3617 100 F 4.9791 8.0654 119.1979 57.1025 39.7335 175.5989 101 H 5.0418 8.7400 119.8079 53.8148 32.5580 174.1122 102 E 4.3954 9.2785 123.0011 58.5893 29.5443 176.8700 103 P 4.3859 0.0000 0.0000 64.9764 31.7706 177.4202 104 V 4.0533 7.8600 116.3404 64.1271 32.0465 176.0155 105 F 4.5736 7.9345 122.7560 54.9816 39.3944 172.6713 106 A 4.1806 8.3247 127.5674 51.1854 18.7650 175.9832 107 P 4.5239 0.0000 0.0000 63.3451 32.0388 175.5347 108 H 4.9106 8.7494 121.0085 54.7924 32.2894 171.9993 109 D 4.3618 8.7572 116.6083 54.9384 41.6819 178.5388 110 K 4.6596 8.2860 127.6175 60.6515 33.1527 177.5549 111 A 4.0601 8.3206 120.6952 55.7324 18.3939 179.6021 112 T 3.9246 8.5864 114.1704 66.9094 68.5114 176.5115 113 N 4.3338 8.3304 117.8113 56.9016 38.6581 177.3114 114 T 3.9802 8.6261 117.3432 66.8089 68.6651 176.9976 115 Q 3.9310 8.4508 119.7854 59.0670 28.7866 180.0594 116 A 3.9799 7.9954 121.3083 55.3552 18.5156 179.4419 117 M 3.6465 8.3401 116.8874 58.9060 32.3933 178.4445 118 I 3.7919 7.8213 119.6761 64.3844 36.9836 178.3338 119 A 3.9807 7.8127 120.8740 55.0946 18.4751 179.6063 120 T 4.0301 7.9157 114.5391 66.8574 68.5354 176.7251 121 I 3.6045 8.1032 121.8506 64.5217 36.9829 178.1427 122 A 3.7180 7.7985 119.5187 53.8839 18.2944 179.3213 123 S 4.1460 7.6475 112.4150 59.3765 63.1051 175.9628 124 G 3.9033 7.5081 107.6653 45.8604 0.0000 174.0009 125 N 4.3093 7.5696 115.2380 53.9812 39.0229 175.2198 126 V 4.3941 7.3562 117.3835 61.2776 34.3104 174.3653 127 H 4.9035 9.1893 123.1637 57.4059 30.7490 175.4178 128 I 5.0596 7.4780 117.5042 59.6519 41.7754 174.4380 129 I 4.7240 8.6670 128.1617 59.9079 38.3117 175.4594 130 S 4.4490 8.7037 123.1703 58.7773 63.6123 175.1898 131 H 4.0947 9.0681 116.2608 56.5578 27.1099 173.8124 132 P 4.3177 0.0000 0.0000 65.9596 32.0295 178.0876 133 G 3.9215 7.9953 106.7666 45.5203 0.0000 172.5636 134 N 4.6392 7.9352 119.3149 51.9140 39.0027 174.2758 135 P 4.3930 0.0000 0.0000 65.4655 31.5951 177.9780 136 K 3.9479 8.4307 116.6539 58.2972 32.0681 176.4130 137 Y 4.4745 8.0810 116.3818 55.7293 39.3946 174.4276 138 E 4.3443 8.5018 125.1877 56.0278 30.4839 176.5043 139 I 4.6711 7.8342 114.5518 59.1778 40.7054 174.0634 140 D 4.3497 8.8206 121.6988 54.6906 40.8026 177.0441 141 V 3.6924 8.3218 126.6981 65.5077 32.0005 177.2275 142 K 3.8248 8.1635 118.5194 59.9610 31.8894 178.2936 143 A 4.0411 8.0813 120.2221 55.0540 18.3573 179.6351 144 V 3.5675 7.7813 116.6002 66.0013 31.5052 178.1862 145 A 4.0192 8.5045 121.1464 55.0739 18.1920 179.5291 146 E 3.9099 8.1357 116.7925 59.4563 29.4811 179.3769 147 A 4.0761 8.2535 120.7066 54.9264 18.3789 179.5196 148 A 3.9589 8.3319 119.3019 55.3212 18.3716 179.6988 149 A 3.9930 8.2557 119.4359 55.2564 18.2382 179.7591 150 K 3.9128 7.9654 117.0414 59.1974 32.3041 177.7832 151 H 4.7157 8.1886 113.3394 54.3917 29.5132 174.4716 152 Q 3.7808 7.8654 118.5913 57.5195 26.5196 173.6439 153 V 4.8368 8.3146 116.6596 61.0921 33.9207 175.2319 154 A 4.6741 9.1167 129.7001 51.6878 20.3390 175.8760 155 L 4.8459 8.4462 120.3377 52.7745 44.2136 175.7646 156 E 5.0100 8.8229 125.4548 55.6859 30.5113 176.0911 157 I 4.2144 8.1145 127.6383 59.9756 38.0697 175.3454 158 N 4.5577 8.4394 124.9603 53.9450 40.4415 174.6638 *162 F 4.6334 8.2565 117.0334 56.3417 40.0234 174.1689 163 L 4.0921 8.2621 123.6829 57.9424 42.0890 177.0399 164 H 4.3963 7.4536 114.5996 57.3741 28.9793 175.2784 *172 N 4.7612 8.2045 121.5272 53.7635 41.5360 176.6776 173 C 3.7779 8.1742 115.9531 63.1661 28.1169 176.2763 174 R 3.9460 8.0471 118.6790 59.2988 29.6236 178.3977 175 E 3.8930 8.0765 118.3864 59.3200 29.6454 178.5669 176 V 3.5598 7.9349 117.8072 66.0921 31.6244 177.6853 177 A 3.8805 8.4138 120.2820 55.3095 18.3153 179.4809 178 A 4.0190 8.4832 119.3337 55.2696 18.3782 179.7870 179 A 3.9663 8.4689 119.7731 55.3276 18.5965 180.0858 180 V 3.5877 8.6693 117.2842 65.8621 31.3295 178.1144 181 R 3.5882 7.9435 117.8296 59.6824 30.0224 177.9453 182 D 4.4609 7.8853 116.4296 56.6544 41.0366 178.1316 183 A 4.2195 8.1527 120.2002 52.7927 18.6647 178.4788 184 G 3.6992 7.9304 105.0150 45.2352 0.0000 174.1173 185 G 3.9187 7.5045 108.1994 44.4186 0.0000 172.8284 186 W 5.0587 8.5021 117.8528 55.6032 31.3695 176.2125 187 V 4.9673 8.7327 115.7047 59.5836 34.4157 174.5514 188 A 4.9508 8.3046 124.7557 50.0861 21.7202 175.2766 189 L 4.3170 8.9010 123.1219 53.6683 43.4641 176.2940 190 G 4.5634 8.0883 108.8603 45.3258 0.0000 173.3549 191 S 4.5293 9.5178 119.4833 58.9109 63.7197 173.6479 192 D 4.2534 7.8126 118.9833 54.6016 40.1028 173.7743 193 S 4.4150 8.1043 112.3298 59.3264 63.6110 174.9191 194 H 5.0218 9.1305 119.2788 55.7111 29.9882 173.4404 195 T 4.9960 7.6881 108.6948 59.4463 72.0808 174.4863 196 A 3.8556 8.0777 124.3678 53.8493 18.4527 180.0332 197 F 4.2282 7.5373 114.6534 59.9308 39.2314 176.3086 198 T 4.6812 7.6086 107.4872 60.3651 68.9553 173.9963 199 M 4.1590 7.5473 122.3970 57.5231 32.4372 176.7002 200 G 3.4894 9.4518 113.5967 45.5337 0.0000 173.2665 201 E 4.1584 7.5848 120.7846 54.8414 28.8392 176.4641 202 F 4.9376 7.6196 122.6963 56.2837 38.2338 176.4437 203 E 4.2876 8.4682 121.2907 59.7508 29.8496 178.7168 204 E 4.1608 8.2562 118.5648 59.5461 30.0527 178.5882 205 C 4.2972 8.0648 113.7264 60.6376 29.8379 175.0290 206 L 3.8997 7.5716 122.1797 58.3768 41.4654 179.1028 207 K 4.0374 8.0784 118.2813 59.1361 32.0835 178.2925 208 I 3.9268 7.8102 119.6197 63.2064 36.9444 178.2292 209 L 4.0255 7.9511 120.7965 57.8400 41.4478 178.6273 210 D 4.5600 8.0572 115.3093 55.8434 40.8851 177.9943 211 A 4.2203 7.5345 121.8915 54.8864 18.6894 179.1659 212 V 4.0132 7.4642 107.7420 60.0627 32.5554 175.8579 213 D 4.3958 8.1452 117.1632 53.8818 38.0791 174.0116 214 F 4.0127 8.3859 120.0884 58.3232 40.4909 172.5206 215 P 4.2733 0.0000 0.0000 61.9217 31.6394 175.0918 216 P 4.3959 0.0000 0.0000 65.6575 31.3601 177.7740 217 E 4.2902 8.1238 113.0962 57.8077 30.0875 177.1882 218 R 4.1806 8.1275 118.8853 55.9523 30.0911 175.1335 219 I 4.7604 7.7068 121.0858 59.7345 37.7784 176.8488 220 L 3.8534 8.4426 126.8975 57.8590 41.8128 178.3414 221 N 4.5798 7.9029 113.8129 54.1750 38.8166 176.8353 222 V 3.9565 7.4468 118.5490 65.8396 31.8631 176.5618 223 S 4.7265 7.7096 112.0782 55.2992 66.8412 172.9651 224 P 4.1838 0.0000 0.0000 66.0574 31.0793 179.0007 225 R 3.9118 7.8983 116.8460 59.1748 30.2197 178.1837 226 R 3.8913 8.0475 118.6422 59.4191 30.0882 178.2896 227 L 3.7762 7.6130 119.9501 58.1596 42.1326 178.8802 228 L 4.0445 8.2797 119.3620 57.9554 41.4733 179.2930 229 N 4.3618 8.7210 116.8621 55.9967 38.3700 177.2039 230 F 4.0068 7.9117 121.8029 61.2692 39.4776 177.0741 231 L 3.5563 7.8445 118.4266 57.7962 41.3545 179.4062 232 E 4.5385 8.4523 119.9373 58.9582 29.2050 179.6306 233 S 4.0942 8.1376 113.2900 60.8702 63.0164 175.7553 234 R 4.2118 6.9454 119.0684 55.4596 30.2114 176.5614 235 G 3.9217 7.6753 106.2898 45.3192 0.0000 174.1006 236 M 4.0698 8.2571 121.4864 54.6168 32.7614 175.5094 237 A 4.2955 8.3721 129.1160 51.3268 19.2704 175.3344 238 P 4.3425 0.0000 0.0000 62.7362 32.1813 176.5489 239 I 3.9723 8.1549 122.9977 59.7170 37.2390 176.4098 240 A 3.9965 8.4737 129.9417 55.2346 18.3689 179.0057 241 E 4.1465 7.8791 113.2623 58.4400 29.9206 177.4515 242 F 4.9933 8.0295 116.7531 57.0725 39.5690 177.2061 243 A 4.1604 7.7608 124.7770 55.2187 18.1002 178.3185 244 D 4.7916 7.9652 112.1140 54.1446 41.3855 176.4952 245 L 4.1724 8.2755 125.8022 55.0801 41.5016 176.8038 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 4.01 0.00 1.59 1.80 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.89 0.00 2 Y 8.19 4.28 0.00 3.60 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 3 P 0.00 4.84 0.00 2.16 2.29 0.00 4.06 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 4 V 7.93 5.50 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 0.73 0.00 0.00 0.99 0.00 0.00 5 D 9.01 5.23 0.00 2.91 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 6 L 8.33 4.78 0.00 1.60 1.64 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.55 4.99 0.00 3.17 3.15 0.00 5.74 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 8 M 8.28 5.24 0.00 1.97 1.73 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 1.54 2.50 0.00 9 H 9.02 5.39 0.00 2.88 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 9.16 5.50 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 11 V 8.57 3.98 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 0.75 0.00 0.00 0.96 0.00 0.00 12 A 7.72 4.04 1.04 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 13 S 8.17 5.04 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 9.00 3.94 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 1.25 0.00 0.00 15 H 8.39 4.44 0.00 3.31 3.49 0.00 5.50 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 16 A 7.13 4.60 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 17 Y 8.81 4.86 0.00 2.99 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 18 S 7.93 4.85 0.00 3.45 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 19 T 8.48 4.77 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 20 L 8.45 3.99 0.00 1.46 1.53 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.96 4.06 0.00 4.03 4.04 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 22 D 7.73 4.12 0.00 2.60 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 0.00 0.00 0.00 0.00 23 Y 7.59 3.79 0.00 3.09 2.38 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 24 I 8.00 3.70 2.01 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 1.71 1.07 0.96 0.00 0.00 25 A 7.98 3.93 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 26 Q 8.11 3.75 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 27 A 8.05 3.88 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 28 K 7.95 3.79 0.00 2.03 1.89 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 29 Q 7.85 4.12 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 30 K 7.95 4.45 0.00 1.74 1.80 0.00 1.87 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.46 7.81 31 G 7.48 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 32 I 7.83 4.09 1.88 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 1.34 0.58 1.10 0.00 0.00 33 K 9.02 4.39 0.00 1.71 1.83 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.39 7.81 34 L 7.77 5.14 0.00 1.54 1.38 0.27 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.00 6.10 0.00 3.24 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 36 A 8.63 5.39 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.45 4.50 2.32 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.32 1.14 0.00 0.00 38 T 8.77 5.15 4.19 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 1.25 0.00 0.00 39 D 8.32 4.82 0.00 2.78 2.77 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 40 H 9.07 4.64 0.00 3.16 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.88 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 42 P 0.00 4.72 0.00 2.20 2.40 0.00 3.80 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 43 D 8.05 4.45 0.00 2.90 2.79 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 0.00 0.00 0.00 0.00 44 M 7.55 4.29 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 45 E 8.61 4.03 0.00 2.08 1.87 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 2.41 2.32 0.00 46 D 8.79 4.77 0.00 2.94 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 47 A 7.21 4.79 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 48 P 0.00 4.50 0.00 1.98 1.82 0.00 4.08 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.61 0.00 49 H 8.53 4.25 0.00 3.09 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.46 4.58 0.00 3.53 3.53 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.20 4.45 0.00 3.38 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 52 H 8.14 4.00 0.00 3.01 3.22 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.04 4.19 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.93 3.72 1.95 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.28 0.87 0.00 0.00 55 N 8.36 4.66 0.00 2.92 2.74 0.00 0.00 7.23 8.40 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 56 M 7.59 3.25 0.00 0.96 1.72 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.81 0.00 57 R 7.16 3.90 0.00 1.94 1.99 0.00 3.00 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 58 I 7.42 4.00 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.82 0.93 0.00 0.00 59 W 7.55 4.52 0.00 3.35 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 60 P 0.00 4.48 0.00 2.20 2.08 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 61 R 8.68 4.22 0.00 1.84 1.94 0.00 2.58 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 62 V 7.68 4.92 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.16 0.00 0.00 63 V 8.51 4.40 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 0.97 0.00 0.00 0.94 0.00 0.00 64 D 9.95 4.52 0.00 2.84 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 65 G 8.45 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 0.00 0.00 0.00 0.00 66 V 7.97 4.25 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 1.32 0.00 0.00 1.04 0.00 0.00 67 G 8.69 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 0.00 0.00 0.00 68 I 8.77 4.49 1.92 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 0.83 0.80 0.80 0.00 0.00 69 L 8.87 4.78 0.00 1.63 1.59 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 70 R 9.32 4.40 0.00 1.61 1.53 0.00 3.10 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.53 0.00 71 G 8.52 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 4.76 1.48 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.11 0.71 0.00 0.00 73 E 9.07 4.96 0.00 2.07 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 2.25 2.16 0.00 74 A 9.18 4.49 1.13 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 0.00 0.00 75 N 9.48 5.26 0.00 2.64 2.83 0.00 0.00 7.15 7.29 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 76 I 7.96 3.82 1.58 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.16 0.72 0.00 0.00 77 K 10.12 4.51 0.00 1.74 1.92 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.56 7.81 78 N 8.00 5.16 0.00 2.98 2.96 0.00 0.00 6.23 7.68 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 79 V 8.58 3.87 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 0.87 0.00 0.00 0.99 0.00 0.00 80 D 8.33 4.51 0.00 2.86 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 81 G 8.44 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 82 E 8.32 4.43 0.00 2.02 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 2.35 2.73 0.00 83 I 8.26 4.97 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.71 0.86 0.00 0.00 84 D 8.18 4.68 0.00 2.62 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 85 C 7.49 4.26 0.00 2.46 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.14 4.60 0.00 4.07 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 87 G 8.54 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 88 K 8.00 4.21 0.00 1.79 1.94 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.56 7.81 89 M 7.88 4.18 0.00 1.83 2.05 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 90 F 7.96 4.26 0.00 3.26 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 91 D 8.21 4.47 0.00 2.84 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 92 S 7.97 4.42 0.00 3.94 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 93 L 7.06 4.81 0.00 1.65 1.56 0.78 1.02 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 94 D 9.00 4.74 0.00 2.51 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 95 L 7.81 4.74 0.00 1.72 1.48 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.88 4.53 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 1.01 0.00 0.00 97 I 8.43 4.88 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.82 0.00 0.00 98 A 8.55 5.07 1.06 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 0.00 0.00 99 G 8.55 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 0.00 100 F 8.07 4.98 0.00 2.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.74 5.04 0.00 3.34 3.18 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 9.28 4.40 0.00 2.07 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 0.00 2.48 2.51 0.00 103 P 0.00 4.39 0.00 2.08 2.15 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 104 V 7.86 4.05 2.22 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 0.84 0.00 0.00 0.98 0.00 0.00 105 F 7.93 4.57 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.32 4.18 1.19 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 0.00 0.00 107 P 0.00 4.52 0.00 1.79 0.76 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.42 0.00 108 H 8.75 4.91 0.00 2.96 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.76 4.36 0.00 2.72 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 0.00 110 K 8.29 4.66 0.00 1.90 1.74 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.48 7.81 111 A 8.32 4.06 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 0.00 112 T 8.59 3.92 4.58 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 1.35 0.00 0.00 113 N 8.33 4.33 0.00 3.10 3.01 0.00 0.00 7.09 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 0.00 114 T 8.63 3.98 4.31 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 1.25 0.00 0.00 115 Q 8.45 3.93 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 116 A 8.00 3.98 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 117 M 8.34 3.65 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 118 I 7.82 3.79 2.00 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 1.46 0.41 0.91 0.00 0.00 119 A 7.81 3.98 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 0.00 120 T 7.92 4.03 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 1.09 0.00 0.00 121 I 8.10 3.60 2.06 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 1.42 1.16 0.87 0.00 0.00 122 A 7.80 3.72 1.19 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 0.00 0.00 123 S 7.65 4.15 0.00 4.02 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 0.00 124 G 7.51 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 0.00 0.00 0.00 125 N 7.57 4.31 0.00 2.74 2.86 0.00 0.00 6.65 7.56 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 0.00 126 V 7.36 4.39 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 0.82 0.00 0.00 0.89 0.00 0.00 127 H 9.19 4.90 0.00 3.34 3.54 0.00 5.81 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.48 5.06 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.85 0.00 0.00 129 I 8.67 4.72 1.79 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 1.22 0.96 0.73 0.00 0.00 130 S 8.70 4.45 0.00 3.75 3.68 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 0.00 131 H 9.07 4.09 0.00 3.49 3.93 0.00 5.46 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.32 0.00 2.20 2.18 0.00 3.86 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 1.98 1.93 0.00 133 G 8.00 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 0.00 134 N 7.94 4.64 0.00 3.00 2.95 0.00 0.00 7.22 7.59 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 0.00 135 P 0.00 4.39 0.00 2.10 2.14 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 136 K 8.43 3.95 0.00 1.68 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.83 7.81 137 Y 8.08 4.47 0.00 3.17 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 0.00 138 E 8.50 4.34 0.00 2.05 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 2.43 2.31 0.00 139 I 7.83 4.67 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.51 1.10 0.00 0.00 140 D 8.82 4.35 0.00 2.74 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 0.00 141 V 8.32 3.69 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 1.05 0.00 0.00 0.97 0.00 0.00 142 K 8.16 3.82 0.00 1.87 1.84 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.56 7.81 143 A 8.08 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 0.00 144 V 7.78 3.57 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 1.07 0.00 0.00 0.99 0.00 0.00 145 A 8.50 4.02 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 0.00 146 E 8.14 3.91 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 2.33 2.53 0.00 147 A 8.25 4.08 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 0.00 148 A 8.33 3.96 1.48 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 0.00 0.00 149 A 8.26 3.99 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 0.00 150 K 7.97 3.91 0.00 1.77 2.11 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.09 1.36 7.81 151 H 8.19 4.72 0.00 3.29 3.30 0.00 5.86 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.87 3.78 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 153 V 8.31 4.84 2.15 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 0.82 0.00 0.00 1.02 0.00 0.00 154 A 9.12 4.67 1.07 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 0.00 155 L 8.45 4.85 0.00 1.59 1.54 0.93 0.59 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 0.00 156 E 8.82 5.01 0.00 2.00 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 2.31 2.23 0.00 157 I 8.11 4.21 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.70 0.82 0.00 0.00 158 N 8.44 4.56 0.00 2.78 2.68 0.00 0.00 7.09 7.02 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 *162 F 8.26 4.63 0.00 2.09 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 0.00 0.00 0.00 163 L 8.26 4.09 0.00 1.48 1.42 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 164 H 7.45 4.40 0.00 3.21 3.16 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *172 N 8.20 4.76 0.00 3.00 2.94 0.00 0.00 6.80 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 0.00 173 C 8.17 3.78 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.05 3.95 0.00 1.86 2.01 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 175 E 8.08 3.89 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 176 V 7.93 3.56 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 0.93 0.00 0.00 0.97 0.00 0.00 177 A 8.41 3.88 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 0.00 178 A 8.48 4.02 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 0.00 179 A 8.47 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.67 3.59 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.00 0.00 0.00 181 R 7.94 3.59 0.00 2.13 2.20 0.00 3.25 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 182 D 7.89 4.46 0.00 2.73 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 0.00 183 A 8.15 4.22 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 0.00 184 G 7.93 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 G 7.50 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 0.00 186 W 8.50 5.06 0.00 3.11 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 0.00 187 V 8.73 4.97 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 0.38 0.00 0.00 0.57 0.00 0.00 188 A 8.30 4.95 1.06 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 0.00 0.00 189 L 8.90 4.32 0.00 0.51 0.13 -0.04 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 190 G 8.09 4.56 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 0.00 191 S 9.52 4.53 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 D 7.81 4.25 0.00 2.70 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 0.00 193 S 8.10 4.41 0.00 4.08 4.30 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 0.00 194 H 9.13 5.02 0.00 3.37 3.46 0.00 5.75 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 T 7.69 5.00 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 1.47 0.00 0.00 196 A 8.08 3.86 0.50 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 0.00 0.00 197 F 7.54 4.23 0.00 3.01 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 0.00 198 T 7.61 4.68 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 199 M 7.55 4.16 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 200 G 9.45 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.58 4.16 0.00 2.09 1.84 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 2.16 2.39 0.00 202 F 7.62 4.94 0.00 3.08 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 0.00 203 E 8.47 4.29 0.00 2.03 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 0.00 2.33 2.34 0.00 204 E 8.26 4.16 0.00 2.01 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 0.00 2.36 2.29 0.00 205 C 8.06 4.30 0.00 3.11 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 0.00 206 L 7.57 3.90 0.00 2.07 1.83 1.30 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 207 K 8.08 4.04 0.00 1.90 1.82 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.57 7.81 208 I 7.81 3.93 2.05 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 1.54 1.08 0.93 0.00 0.00 209 L 7.95 4.03 0.00 1.93 1.73 0.60 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 210 D 8.06 4.56 0.00 2.68 2.77 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 0.00 211 A 7.53 4.22 1.39 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 0.00 0.00 212 V 7.46 4.01 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 0.85 0.00 0.00 1.18 0.00 0.00 213 D 8.15 4.40 0.00 2.90 2.79 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 0.00 0.00 0.00 0.00 214 F 8.39 4.01 0.00 3.00 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 0.00 215 P 0.00 4.27 0.00 2.15 1.92 0.00 2.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.41 0.00 216 P 0.00 4.40 0.00 2.25 2.26 0.00 3.58 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 217 E 8.12 4.29 0.00 2.08 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 0.00 2.18 2.23 0.00 218 R 8.13 4.18 0.00 1.71 1.90 0.00 2.24 0.00 0.00 2.64 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.33 0.00 219 I 7.71 4.76 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.35 0.60 0.00 0.00 220 L 8.44 3.85 0.00 1.39 1.42 -0.08 -0.66 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 0.00 221 N 7.90 4.58 0.00 2.61 2.88 0.00 0.00 6.78 7.68 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 0.00 222 V 7.45 3.96 2.22 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 0.86 0.00 0.00 1.24 0.00 0.00 223 S 7.71 4.73 0.00 4.06 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 0.00 224 P 0.00 4.18 0.00 2.13 2.03 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 225 R 7.90 3.91 0.00 1.94 1.94 0.00 3.27 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 226 R 8.05 3.89 0.00 1.99 2.19 0.00 3.36 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 1.59 1.78 0.00 227 L 7.61 3.78 0.00 1.74 1.77 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 228 L 8.28 4.04 0.00 1.73 1.76 0.98 0.72 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 0.00 229 N 8.72 4.36 0.00 2.79 2.91 0.00 0.00 6.65 8.08 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 0.00 230 F 7.91 4.01 0.00 2.53 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 0.00 231 L 7.84 3.56 0.00 1.82 1.57 0.90 0.60 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 0.00 232 E 8.45 4.54 0.00 2.14 1.97 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 2.49 2.31 0.00 233 S 8.14 4.09 0.00 3.99 4.09 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 0.00 234 R 6.95 4.21 0.00 1.64 1.84 0.00 3.13 0.00 0.00 3.32 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.98 0.00 235 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 0.00 236 M 8.26 4.07 0.00 2.01 1.88 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 2.56 2.44 0.00 237 A 8.37 4.30 1.21 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 0.00 0.00 0.00 238 P 0.00 4.34 0.00 2.03 2.11 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 239 I 8.15 3.97 1.65 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 1.15 0.78 0.02 0.00 0.00 240 A 8.47 4.00 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 0.00 241 E 7.88 4.15 0.00 1.71 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 242 F 8.03 4.99 0.00 3.16 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 A 7.76 4.16 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 0.00 244 D 7.97 4.79 0.00 2.71 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 0.00 245 L 8.28 4.17 0.00 1.70 1.52 0.37 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.