NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0941 8.3049 120.3145 56.5436 33.5722 175.1296 2 Y 4.4440 8.0505 118.0663 56.0881 34.9507 167.5480 3 P 4.9050 0.0000 0.0000 63.1021 33.9638 176.5552 4 V 5.5209 7.9611 118.7493 61.4488 34.8487 173.6397 5 D 5.1431 8.9291 126.0081 52.7351 44.3686 175.1308 6 L 4.7820 8.3564 122.1012 54.7590 43.5517 176.0653 7 H 4.8819 8.2676 119.7597 55.3804 32.5347 171.5408 8 M 5.1533 8.5911 121.8858 54.8598 34.9154 173.1447 9 H 5.4047 9.0018 116.1564 54.2952 32.7930 173.2627 10 T 5.5987 9.3866 111.7565 58.9893 71.7764 175.3992 11 V 3.9215 8.6732 113.7800 63.2390 31.5831 177.4599 12 A 4.0337 7.6557 122.4425 54.3163 18.5381 177.8212 13 S 5.0673 8.1595 111.7535 56.0748 64.6028 175.5006 14 T 3.8976 8.8878 115.2742 63.9692 68.6911 174.7065 15 H 4.4771 8.2776 117.0579 55.2715 28.6976 174.3923 16 A 4.6289 7.2801 122.0292 51.0310 21.6792 176.1039 17 Y 4.8360 8.6530 113.4907 57.5784 40.7672 175.7672 18 S 4.8521 7.9850 116.1832 56.5425 66.4509 173.4730 19 T 4.6823 8.4091 114.0056 59.8545 72.0389 175.6041 20 L 4.0099 8.3308 121.9206 58.5386 41.9085 178.9448 21 S 4.1017 7.9572 113.4538 61.4207 62.7956 176.0350 22 D 4.1555 7.7623 122.0170 57.3644 40.4368 178.3003 23 Y 3.7762 7.7602 117.1039 60.8933 37.7400 178.6655 24 I 3.7117 7.9083 120.4750 64.3689 37.3882 178.2898 25 A 3.9105 7.8997 121.4491 55.2746 18.1838 179.5218 26 Q 3.7672 8.1408 118.0063 58.9637 29.0469 178.1079 27 A 3.8903 8.0450 122.2155 55.0492 18.3103 179.4587 28 K 3.8782 8.1697 118.1502 59.7347 32.0122 179.1090 29 Q 3.9391 7.6627 116.7821 58.9395 28.8766 178.3619 30 K 4.2398 8.0144 116.6902 56.7303 32.2084 177.9084 31 G 3.8661 7.4495 106.8059 45.9903 0.0000 173.5254 32 I 3.9970 7.6351 120.9248 60.9886 37.5078 176.2339 33 K 4.4730 8.9257 124.4736 57.1724 33.9932 176.2472 34 L 4.9478 7.6921 121.9010 53.7499 45.5547 174.0994 35 F 6.0452 9.0605 119.7174 54.8699 42.0104 172.8700 36 A 5.4522 8.5455 120.2756 49.2600 21.8694 175.5938 37 I 4.2472 8.5205 122.6582 60.5776 38.9930 175.5592 38 T 4.7563 8.5797 116.7579 59.7919 67.8582 173.2993 39 D 4.6815 8.3350 128.0854 55.0814 42.8654 175.7279 40 H 4.7081 9.0315 118.5136 56.0568 29.5346 175.8548 41 G 3.7439 8.8602 110.3702 45.5375 0.0000 172.8384 42 P 4.7558 0.0000 0.0000 64.8009 31.5834 177.3721 43 D 4.4594 8.3768 118.7117 56.4920 41.0693 176.5889 44 M 4.2927 7.5620 118.2420 54.6261 31.5019 175.6830 45 E 3.9984 8.6738 123.1402 57.9076 30.2353 176.4465 46 D 4.4599 8.7261 118.0052 55.2962 39.8892 172.8168 47 A 4.8049 7.1140 116.7021 48.7981 21.5026 175.4288 48 P 4.5035 0.0000 0.0000 62.2113 32.4455 175.7039 49 H 4.3846 8.4317 118.1320 55.7559 30.5703 175.5524 50 H 4.4251 8.5877 120.4751 58.8621 28.0021 177.6532 51 W 4.5201 8.1992 121.0198 59.7808 28.5575 177.2958 52 H 4.0002 8.2262 117.9794 59.3333 29.4170 176.6192 53 F 4.2225 8.1551 118.9460 60.0089 39.2104 178.1694 54 I 3.7875 7.8385 119.0554 64.0882 37.1090 176.8822 55 N 4.6711 8.2448 115.7089 54.3463 38.8466 176.2326 56 M 3.3379 7.6311 119.9232 57.6217 31.6506 178.1320 57 R 3.8991 7.1637 114.8850 58.4975 29.4857 178.1219 58 I 3.9855 7.3246 112.2778 61.6724 38.2369 176.4089 59 W 4.5611 7.5261 121.1039 55.7998 29.5430 174.1969 60 P 4.5121 0.0000 0.0000 62.8755 31.7949 176.9428 61 R 4.1551 8.7878 120.2150 58.7602 30.3334 176.8621 62 V 4.9038 7.7161 115.7700 60.8440 34.0298 174.4552 63 V 4.3460 8.5628 126.5313 62.2219 33.7463 174.9737 64 D 4.5141 9.9232 127.1168 55.5016 38.3006 174.8655 65 G 3.9307 8.4921 105.2553 45.4095 0.0000 173.8634 66 V 4.2636 7.9755 121.5021 61.1933 33.3559 175.3427 67 G 3.8609 8.8710 115.7470 45.9490 0.0000 172.5011 68 I 4.3426 8.5763 123.4227 59.1145 40.1542 174.9864 69 L 4.8295 8.9246 127.8205 53.4632 44.1758 176.1783 70 R 4.3661 9.5813 122.8109 55.2668 31.2069 175.8243 71 G 4.9598 8.4504 110.4384 45.4443 0.0000 170.6117 72 I 4.7669 7.9993 117.6739 59.4994 41.9951 173.5762 73 E 5.0454 9.1062 130.0351 54.4391 29.3220 174.9980 74 A 4.4456 8.8966 127.5106 51.4055 20.6754 175.5358 75 N 5.3384 9.5671 117.4306 51.3091 40.8192 174.9408 76 I 4.0008 8.2533 125.4922 62.0719 36.9215 176.1451 77 K 4.6309 9.3385 127.3033 58.1958 33.5959 176.0424 78 N 5.0737 7.8189 115.1986 52.1529 39.6550 175.0407 79 V 4.0006 8.4688 110.3880 63.3158 31.6185 176.8611 80 D 4.5652 8.2923 119.1927 54.0310 40.7176 177.0702 81 G 4.0262 8.4452 108.1056 45.3660 0.0000 173.2818 82 E 4.4287 8.1748 119.0305 55.8649 30.7280 175.8477 83 I 5.4151 8.4216 115.5220 57.2020 41.0633 174.6400 84 D 4.6858 8.0852 121.8107 53.4358 38.0236 176.7512 85 C 4.2905 7.4613 117.3343 57.6430 34.1850 173.9154 86 S 4.6269 8.1892 122.4464 57.0360 65.4033 175.0926 87 G 3.9215 8.6455 108.1424 48.2905 0.0000 175.8159 88 K 4.1716 8.0591 119.3430 59.3405 32.4057 178.8798 89 M 4.2155 8.0160 118.8132 58.4094 31.8605 178.6279 90 F 4.1953 8.2307 118.1713 60.9227 38.8722 177.4957 91 D 4.4510 8.0406 117.2602 57.3589 40.6894 178.5110 92 S 4.2955 7.8729 113.4192 58.8491 63.4211 174.1485 93 L 4.7863 7.0589 121.3221 53.1970 43.5011 175.9870 94 D 4.6527 8.9883 122.0020 55.7756 42.2207 176.9418 95 L 4.6724 7.7816 119.9407 53.1649 45.5776 175.2801 96 I 4.3464 8.8866 126.9571 59.9658 39.0546 174.6418 97 I 4.8417 8.4562 128.2746 59.9254 39.5972 175.0665 98 A 5.0246 8.7544 125.5912 50.6106 22.8947 175.4620 99 G 4.3132 8.4940 107.0112 45.1115 0.0000 171.5157 100 F 4.9557 7.9548 118.7942 56.8636 39.6614 175.7297 101 H 5.0064 8.7411 120.0558 53.6503 32.7798 174.0512 102 E 4.7273 9.1677 124.0396 58.3447 29.7894 177.1616 103 P 4.2078 0.0000 0.0000 65.1659 31.7673 177.6222 104 V 3.8329 7.9586 117.2134 64.5226 31.7290 175.6509 105 F 4.5396 7.7079 120.1037 55.9117 40.7190 173.8004 106 A 4.3051 8.2638 131.2328 50.9631 18.9755 175.3145 107 P 4.2755 0.0000 0.0000 63.0927 32.2875 175.8235 108 H 4.7881 8.7628 122.6806 54.4486 32.0333 172.9155 109 D 4.4790 8.4766 115.7228 53.9814 43.1663 177.5274 110 K 4.1340 9.0002 126.2500 59.2020 32.1125 178.9082 111 A 4.0894 8.1841 120.2549 55.2721 18.2168 179.8812 112 T 3.9307 7.9391 113.8806 66.9651 68.7429 176.5438 113 N 4.3893 8.3252 118.3550 56.6573 38.5954 177.6694 114 T 3.9585 8.1441 117.0461 66.7110 68.5988 176.5319 115 Q 3.9918 8.3349 121.2165 59.1313 29.0899 178.1093 116 A 4.0633 8.1769 121.8311 55.4459 18.3753 179.3540 117 M 3.6758 8.2599 116.6697 58.7788 32.3394 178.5752 118 I 3.6785 8.3559 120.2172 64.2299 37.0298 178.2725 119 A 4.1400 8.3090 121.2765 55.2774 18.2861 179.6343 120 T 4.1576 7.9063 115.7259 66.2947 68.6497 176.9388 121 I 3.6321 7.8655 121.6863 64.3408 37.0078 177.9079 122 A 3.6767 8.1338 119.0153 53.2282 18.3144 179.0154 123 S 4.2041 7.6539 112.2168 58.9064 63.2975 175.5124 124 G 3.8424 7.2797 108.6335 46.0394 0.0000 173.8800 125 N 4.3969 7.9844 116.2159 53.2381 39.2692 175.3262 126 V 4.4383 7.4043 117.0117 61.2770 34.4519 174.3824 127 H 4.9154 9.1612 122.3505 57.0597 30.8333 175.1681 128 I 5.0704 7.4855 118.0023 59.8429 41.9606 174.0047 129 I 4.7000 8.7167 128.2953 60.0091 38.5766 175.4215 130 S 4.5514 9.0017 123.0452 58.7012 64.7643 174.5292 131 H 4.2213 8.8350 117.2103 56.3813 27.4099 174.0695 132 P 4.3703 0.0000 0.0000 65.6921 31.8880 177.8979 133 G 3.8081 7.9921 106.4825 45.7379 0.0000 172.9861 134 N 4.4248 8.1997 120.2488 53.0295 38.9851 173.9704 135 P 4.3762 0.0000 0.0000 65.0911 31.7311 177.6096 136 K 3.8450 8.6452 119.4426 58.6575 32.3065 175.8371 137 Y 4.4225 8.0017 116.8842 55.2567 37.9139 173.4970 138 E 4.3584 8.3734 125.5367 55.8627 30.5725 175.9071 139 I 4.5911 7.9304 117.8704 58.1130 41.0424 175.4708 140 D 4.5113 8.7495 120.9542 53.9901 40.3710 176.9554 141 V 3.6217 8.1907 126.8456 65.5709 31.7088 177.3325 142 K 3.9030 8.0514 118.6587 59.5590 32.1664 178.4493 143 A 3.9924 8.3454 121.0428 55.0710 18.1708 179.7919 144 V 3.5047 8.0043 116.5386 66.1667 31.6030 178.1602 145 A 4.0109 8.3108 120.7752 55.2102 18.0962 179.5210 146 E 3.9064 8.5158 117.0919 59.3689 29.5080 179.3781 147 A 4.0164 8.0709 120.6504 55.1539 18.4387 179.4996 148 A 3.9842 8.3622 119.3376 55.2544 18.2350 179.7951 149 A 3.9692 8.2886 119.3883 55.1435 18.2694 179.5902 150 K 3.8402 8.0986 117.2364 59.5765 32.2724 177.7328 151 H 4.7009 8.1188 112.8140 54.4326 29.5774 174.7672 152 Q 3.7469 7.8468 118.3301 57.4206 26.4624 173.7067 153 V 4.7862 8.2417 116.7250 61.0896 33.7034 175.6106 154 A 4.6184 9.1697 129.9680 51.9052 20.0298 175.9411 155 L 4.8273 8.3993 120.6501 52.9174 43.7617 175.7921 156 E 4.5625 8.8312 124.8891 56.1530 31.2136 175.2155 157 I 4.5885 8.2573 127.3806 59.7302 39.0715 175.6272 158 N 4.7318 8.5909 124.7096 53.9291 40.4375 174.5048 *162 F 4.6293 8.2278 117.0035 56.3569 39.9268 174.2243 163 L 4.0994 8.1897 123.5393 57.4477 41.8098 176.4660 164 H 4.5162 7.2688 114.6255 57.2082 29.9851 174.5554 *172 N 4.6078 7.7353 116.6344 53.0790 40.9508 176.7984 173 C 3.8750 8.4786 117.3117 63.3897 28.2892 175.7613 174 R 3.9007 7.9068 119.1803 59.4452 29.8360 177.9769 175 E 3.9298 8.1136 118.7267 59.1771 29.6181 178.8396 176 V 3.5941 7.7911 117.7470 65.8801 31.5592 177.9218 177 A 3.9265 7.9364 120.0435 55.1970 18.3202 179.5314 178 A 4.0132 8.4704 119.3461 55.0405 18.3436 179.7655 179 A 3.9779 8.1626 119.6036 55.2765 18.4591 180.0896 180 V 3.5734 8.2853 117.2117 65.9260 31.4168 177.9037 181 R 3.5439 8.2140 117.8448 59.9018 29.9382 177.8115 182 D 4.4645 7.8486 116.0188 56.6607 41.0564 178.2766 183 A 4.2050 8.2079 120.6192 52.9340 18.4526 178.4714 184 G 3.6516 7.8779 105.0489 45.6317 0.0000 174.0972 185 G 3.9202 7.6249 108.6296 44.1718 0.0000 173.1435 186 W 4.9864 8.4720 117.9649 55.8291 31.1500 176.2492 187 V 4.9138 9.0172 116.1432 59.5509 34.3669 174.5517 188 A 4.9954 8.3847 125.1079 50.0647 20.5216 175.1729 189 L 4.5216 9.3371 122.9384 53.5231 43.4925 176.2800 190 G 4.5906 8.1559 108.3550 44.8092 0.0000 173.3598 191 S 4.5109 9.5423 119.7517 59.0840 63.6194 173.6657 192 D 4.1760 7.7511 118.9980 54.6839 40.1624 173.7462 193 S 4.4008 8.1500 112.6142 59.1596 63.6171 174.8044 194 H 5.0575 9.1747 120.1065 55.7000 29.9801 173.5531 195 T 4.9876 7.6888 108.8617 59.3337 72.0863 174.5785 196 A 3.6945 8.2372 124.9839 53.9788 18.3368 179.9369 197 F 4.1976 7.7802 114.4476 59.7155 39.2888 176.3564 198 T 4.6953 7.6338 108.9391 60.3854 68.8811 173.9657 199 M 4.1520 7.5636 122.2907 57.4914 32.4082 176.4181 200 G 3.4595 9.7608 113.9418 45.8478 0.0000 173.2759 201 E 4.1126 7.8254 120.7473 54.6755 28.7393 176.2498 202 F 5.0574 7.3370 121.6679 54.9360 38.7086 177.0105 203 E 3.8284 8.5142 124.6012 60.1430 30.0601 178.2281 204 E 4.2181 7.9792 116.7941 58.1682 29.9441 178.0609 205 C 4.6992 7.7315 112.9296 58.7672 31.2763 175.7274 206 L 3.9548 8.1134 121.4239 57.8205 41.1697 179.4528 207 K 4.0013 8.0421 117.8167 60.2698 32.5219 179.1513 208 I 3.7490 7.6494 120.9272 63.8492 36.9940 178.1953 209 L 4.0618 8.3509 120.3118 57.7673 41.3925 179.2013 210 D 4.2997 8.0378 117.3648 57.1500 41.0055 177.6553 211 A 4.0682 7.8587 120.1265 55.7154 18.4153 179.5691 212 V 3.8570 7.9999 106.5516 60.7751 32.1884 176.1822 213 D 4.4603 8.0376 117.5675 55.2245 38.7948 174.2339 214 F 4.0463 8.9562 121.0140 57.1143 40.4672 172.6132 215 P 4.3835 0.0000 0.0000 61.7154 32.0643 175.1872 216 P 4.4165 0.0000 0.0000 65.4949 31.4915 178.1587 217 E 4.0660 8.3074 114.8489 58.8780 29.4136 177.7747 218 R 4.1593 8.4046 117.5129 55.6772 29.4279 175.0738 219 I 4.7996 7.8245 120.4416 59.7254 37.9694 176.9095 220 L 4.0487 8.6471 126.8736 57.8237 41.7678 178.8892 221 N 4.6254 7.5843 111.4199 54.3424 38.5286 177.0180 222 V 3.8499 7.5487 119.2363 65.8474 32.0732 176.5446 223 S 4.6749 7.7239 111.7291 55.4772 66.3943 173.6112 224 P 4.1903 0.0000 0.0000 66.1218 31.0612 178.9908 225 R 3.8974 7.9439 116.7667 59.2123 30.0297 178.3782 226 R 3.9025 8.1242 118.6780 59.2229 30.0461 178.2812 227 L 3.8079 7.6917 119.5808 58.1933 42.0614 178.8404 228 L 3.9947 8.1801 119.2109 57.9628 41.5383 179.2412 229 N 4.3135 8.5749 116.7682 56.1900 38.5302 177.1552 230 F 4.1235 8.0304 123.2355 60.7963 39.5727 177.1421 231 L 3.5386 8.0391 118.6773 57.6952 41.2960 179.4593 232 E 4.4235 8.6361 120.3038 58.9181 28.9063 179.4929 233 S 4.1828 8.4560 114.5941 61.0934 62.6330 175.7777 234 R 4.2935 7.0368 119.1113 55.7027 30.0322 176.7618 235 G 4.0269 7.8694 107.5520 45.3640 0.0000 173.5762 236 M 4.1562 8.0783 120.5130 53.9845 32.8918 175.5381 237 A 4.2429 8.4084 129.2831 51.3489 19.2189 175.3385 238 P 4.2015 0.0000 0.0000 62.9427 32.1418 176.5526 239 I 3.9900 8.0685 122.6915 59.4514 37.0355 176.3038 240 A 4.0062 8.3358 130.0560 55.0677 18.4611 179.3743 241 E 4.0206 7.8678 114.0430 59.0384 29.7600 177.6286 242 F 4.9607 7.9475 116.3728 57.2506 39.2102 177.1601 243 A 3.9887 7.9172 125.8228 55.3018 18.1129 178.6538 244 D 4.7988 8.0119 112.2963 54.2523 41.2171 176.5118 245 L 4.2206 7.9879 125.7870 55.0571 41.6386 176.6504 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 4.09 0.00 1.59 1.97 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 2 Y 8.05 4.44 0.00 3.56 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 3 P 0.00 4.91 0.00 2.16 2.29 0.00 4.01 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 4 V 7.96 5.52 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 0.73 0.00 0.00 0.99 0.00 0.00 5 D 8.93 5.14 0.00 3.03 2.60 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 6 L 8.36 4.78 0.00 1.50 1.64 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.27 4.88 0.00 3.16 3.13 0.00 5.73 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 8.59 5.15 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 2.37 0.00 9 H 9.00 5.40 0.00 2.80 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 9.39 5.60 4.44 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 1.39 0.00 0.00 11 V 8.67 3.92 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 0.70 0.00 0.00 0.96 0.00 0.00 12 A 7.66 4.03 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 13 S 8.16 5.07 0.00 3.77 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 14 T 8.89 3.90 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 1.21 0.00 0.00 15 H 8.28 4.48 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 7.28 4.63 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 17 Y 8.65 4.84 0.00 2.97 2.97 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 18 S 7.99 4.85 0.00 3.49 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 19 T 8.41 4.68 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 1.21 0.00 0.00 20 L 8.33 4.01 0.00 1.43 1.49 0.37 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.96 4.10 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 7.76 4.16 0.00 2.52 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 23 Y 7.76 3.78 0.00 3.03 2.35 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 24 I 7.91 3.71 2.01 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 1.70 0.93 0.96 0.00 0.00 25 A 7.90 3.91 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 8.14 3.77 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 27 A 8.05 3.89 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 28 K 8.17 3.88 0.00 1.83 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 29 Q 7.66 3.94 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 30 K 8.01 4.24 0.00 1.75 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.51 7.81 31 G 7.45 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 0.00 0.00 0.00 32 I 7.64 4.00 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 1.36 0.59 1.06 0.00 0.00 33 K 8.93 4.47 0.00 1.71 1.83 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.55 7.81 34 L 7.69 4.95 0.00 1.53 1.38 0.26 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.06 6.05 0.00 3.19 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 36 A 8.55 5.45 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 37 I 8.52 4.25 2.33 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.46 1.12 0.00 0.00 38 T 8.58 4.76 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39 D 8.33 4.68 0.00 2.72 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 40 H 9.03 4.71 0.00 3.15 3.26 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 8.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.76 0.00 2.20 2.39 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 43 D 8.38 4.46 0.00 2.83 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 44 M 7.56 4.29 0.00 2.02 1.96 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 2.63 2.49 0.00 45 E 8.67 4.00 0.00 2.08 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 2.42 2.33 0.00 46 D 8.73 4.46 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 47 A 7.11 4.80 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 48 P 0.00 4.50 0.00 1.97 1.82 0.00 4.09 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 49 H 8.43 4.38 0.00 3.09 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.59 4.43 0.00 3.52 3.53 0.00 5.72 0.00 0.00 0.00 0.00 6.94 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 4.52 0.00 3.36 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 52 H 8.23 4.00 0.00 2.97 3.16 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 8.16 4.22 0.00 3.25 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 54 I 7.84 3.79 2.00 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 1.61 1.31 0.91 0.00 0.00 55 N 8.24 4.67 0.00 2.92 2.75 0.00 0.00 7.21 7.17 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 56 M 7.63 3.34 0.00 0.78 1.65 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.34 0.00 57 R 7.16 3.90 0.00 1.96 1.99 0.00 3.01 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 58 I 7.32 3.99 1.93 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 1.87 0.86 0.94 0.00 0.00 59 W 7.53 4.56 0.00 3.30 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 60 P 0.00 4.51 0.00 2.21 2.08 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 61 R 8.79 4.16 0.00 1.84 1.95 0.00 2.93 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 62 V 7.72 4.90 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 1.19 0.00 0.00 63 V 8.56 4.35 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 1.00 0.00 0.00 0.95 0.00 0.00 64 D 9.92 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 65 G 8.49 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 0.00 0.00 0.00 66 V 7.98 4.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 1.06 0.00 0.00 67 G 8.87 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 0.00 0.00 0.00 68 I 8.58 4.34 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 0.80 0.78 0.89 0.00 0.00 69 L 8.92 4.83 0.00 1.61 1.57 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 R 9.58 4.37 0.00 1.67 1.56 0.00 3.10 0.00 0.00 3.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.52 0.00 71 G 8.45 4.96 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 0.00 0.00 0.00 72 I 8.00 4.77 1.47 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.87 0.67 0.00 0.00 73 E 9.11 5.05 0.00 2.00 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 0.00 2.22 2.15 0.00 74 A 8.90 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.57 5.34 0.00 2.73 2.81 0.00 0.00 7.34 7.60 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 76 I 8.25 4.00 1.49 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.13 0.70 0.00 0.00 77 K 9.34 4.63 0.00 1.75 1.93 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 78 N 7.82 5.07 0.00 3.00 2.99 0.00 0.00 6.30 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 8.47 4.00 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 0.89 0.00 0.00 0.99 0.00 0.00 80 D 8.29 4.57 0.00 2.88 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 8.45 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.17 4.43 0.00 2.06 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 2.41 2.43 0.00 83 I 8.42 5.42 1.79 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 1.07 1.74 0.85 0.00 0.00 84 D 8.09 4.69 0.00 2.63 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 C 7.46 4.29 0.00 2.44 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 8.19 4.63 0.00 4.08 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 87 G 8.65 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 88 K 8.06 4.17 0.00 1.80 1.95 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.59 7.81 89 M 8.02 4.22 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 90 F 8.23 4.20 0.00 3.24 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 91 D 8.04 4.45 0.00 2.86 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 92 S 7.87 4.30 0.00 3.94 3.82 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 93 L 7.06 4.79 0.00 1.64 1.56 0.80 1.11 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 94 D 8.99 4.65 0.00 2.58 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 95 L 7.78 4.67 0.00 1.69 1.46 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.89 4.35 2.00 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 1.49 1.23 0.93 0.00 0.00 97 I 8.46 4.84 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 0.72 0.82 0.00 0.00 98 A 8.75 5.02 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 99 G 8.49 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 0.00 0.00 0.00 0.00 100 F 7.95 4.96 0.00 2.03 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 5.01 0.00 3.26 3.22 0.00 5.83 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 0.00 102 E 9.17 4.73 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 103 P 0.00 4.21 0.00 2.13 2.28 0.00 3.90 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 2.07 2.12 0.00 104 V 7.96 3.83 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 0.83 0.00 0.00 0.99 0.00 0.00 105 F 7.71 4.54 0.00 3.41 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 0.00 106 A 8.26 4.31 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 4.28 0.00 1.74 1.36 0.00 3.51 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.13 0.00 108 H 8.76 4.79 0.00 2.99 3.14 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 8.48 4.48 0.00 2.78 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 0.00 110 K 9.00 4.13 0.00 1.88 1.84 0.00 1.99 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.43 7.81 111 A 8.18 4.09 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 0.00 112 T 7.94 3.93 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 113 N 8.33 4.39 0.00 2.98 2.92 0.00 0.00 7.11 6.54 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 0.00 114 T 8.14 3.96 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 1.26 0.00 0.00 115 Q 8.33 3.99 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 116 A 8.18 4.06 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 0.00 117 M 8.26 3.68 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 118 I 8.36 3.68 1.98 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 1.47 0.36 0.92 0.00 0.00 119 A 8.31 4.14 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 0.00 120 T 7.91 4.16 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 1.08 0.00 0.00 121 I 7.87 3.63 1.97 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 0.85 0.91 0.00 0.00 122 A 8.13 3.68 1.17 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 0.00 0.00 123 S 7.65 4.20 0.00 4.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.28 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 0.00 125 N 7.98 4.40 0.00 2.74 2.91 0.00 0.00 6.60 7.12 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 0.00 126 V 7.40 4.44 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 0.88 0.00 0.00 0.90 0.00 0.00 127 H 9.16 4.92 0.00 3.22 3.54 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.49 5.07 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 1.32 0.64 0.90 0.00 0.00 129 I 8.72 4.70 1.78 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.12 0.75 0.00 0.00 130 S 9.00 4.55 0.00 3.82 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 0.00 131 H 8.84 4.22 0.00 3.51 3.85 0.00 5.46 0.00 0.00 0.00 0.00 6.78 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 4.37 0.00 2.20 2.18 0.00 3.85 0.00 0.00 3.77 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 7.99 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 0.00 134 N 8.20 4.42 0.00 2.99 2.97 0.00 0.00 7.17 7.46 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 0.00 135 P 0.00 4.38 0.00 2.10 2.13 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 136 K 8.65 3.85 0.00 1.91 1.88 0.00 1.83 0.00 0.00 1.35 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.19 1.35 7.81 137 Y 8.00 4.42 0.00 3.18 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 0.00 138 E 8.37 4.36 0.00 2.01 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 2.41 2.33 0.00 139 I 7.93 4.59 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 1.40 0.90 1.09 0.00 0.00 140 D 8.75 4.51 0.00 2.77 2.67 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 0.00 141 V 8.19 3.62 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.97 0.00 0.00 142 K 8.05 3.90 0.00 1.88 1.80 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.52 7.81 143 A 8.35 3.99 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 0.00 144 V 8.00 3.50 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 1.08 0.00 0.00 1.01 0.00 0.00 145 A 8.31 4.01 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 0.00 146 E 8.52 3.91 0.00 2.04 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 2.52 0.00 147 A 8.07 4.02 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 0.00 148 A 8.36 3.98 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 0.00 149 A 8.29 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.10 3.84 0.00 1.78 2.00 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.20 1.41 7.81 151 H 8.12 4.70 0.00 3.27 3.31 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 7.85 3.75 0.00 2.31 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 153 V 8.24 4.79 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 0.81 0.00 0.00 0.98 0.00 0.00 154 A 9.17 4.62 1.08 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 0.00 0.00 155 L 8.40 4.83 0.00 1.61 1.55 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.83 4.56 0.00 2.04 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 2.29 2.36 0.00 157 I 8.26 4.59 1.66 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 0.90 1.04 0.81 0.00 0.00 158 N 8.59 4.73 0.00 2.81 2.69 0.00 0.00 7.07 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 8.23 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 8.19 4.10 0.00 1.49 1.48 0.89 0.87 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 0.00 164 H 7.27 4.52 0.00 3.21 3.21 0.00 5.78 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 *172 N 7.74 4.61 0.00 2.91 2.89 0.00 0.00 6.81 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 8.48 3.88 0.00 2.97 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 0.00 174 R 7.91 3.90 0.00 1.89 1.94 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 175 E 8.11 3.93 0.00 2.09 1.95 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 2.40 2.39 0.00 176 V 7.79 3.59 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 1.03 0.00 0.00 0.95 0.00 0.00 177 A 7.94 3.93 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 0.00 178 A 8.47 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 8.16 3.98 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 0.00 180 V 8.29 3.57 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.03 0.00 0.00 181 R 8.21 3.54 0.00 2.05 2.21 0.00 3.25 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 1.51 1.43 0.00 182 D 7.85 4.46 0.00 2.72 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 8.21 4.20 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 7.88 3.65 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 0.00 0.00 0.00 185 G 7.62 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 8.47 4.99 0.00 3.15 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 9.02 4.91 1.76 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 0.34 0.00 0.00 0.47 0.00 0.00 188 A 8.38 5.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 9.34 4.52 0.00 0.47 0.13 -0.11 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 190 G 8.16 4.59 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 0.00 191 S 9.54 4.51 0.00 4.17 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 0.00 192 D 7.75 4.18 0.00 2.71 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 8.15 4.40 0.00 4.10 4.27 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 0.00 0.00 0.00 0.00 194 H 9.17 5.06 0.00 3.38 3.47 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 4.99 4.43 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 1.44 0.00 0.00 196 A 8.24 3.69 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 F 7.78 4.20 0.00 3.09 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 0.00 198 T 7.63 4.70 4.29 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 1.28 0.00 0.00 199 M 7.56 4.15 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.48 0.00 200 G 9.76 3.46 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 0.00 201 E 7.83 4.11 0.00 2.05 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 2.15 2.33 0.00 202 F 7.34 5.06 0.00 3.10 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 0.00 203 E 8.51 3.83 0.00 2.04 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 2.43 2.34 0.00 204 E 7.98 4.22 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 205 C 7.73 4.70 0.00 3.13 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 0.00 206 L 8.11 3.95 0.00 1.79 1.91 1.21 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 207 K 8.04 4.00 0.00 2.01 2.10 0.00 1.53 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.67 1.56 7.81 208 I 7.65 3.75 2.02 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 1.66 0.93 0.93 0.00 0.00 209 L 8.35 4.06 0.00 1.86 1.77 0.68 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 210 D 8.04 4.30 0.00 2.86 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 0.00 211 A 7.86 4.07 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 0.00 212 V 8.00 3.86 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 0.82 0.00 0.00 1.13 0.00 0.00 213 D 8.04 4.46 0.00 2.79 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 0.00 214 F 8.96 4.05 0.00 3.02 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 0.00 215 P 0.00 4.38 0.00 2.12 1.89 0.00 2.20 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.46 0.00 216 P 0.00 4.42 0.00 2.20 2.27 0.00 3.88 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 217 E 8.31 4.07 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 2.17 2.20 0.00 218 R 8.40 4.16 0.00 1.77 2.00 0.00 2.38 0.00 0.00 2.67 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.33 0.00 219 I 7.82 4.80 2.08 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 1.30 1.22 0.74 0.00 0.00 220 L 8.65 4.05 0.00 1.49 1.42 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 221 N 7.58 4.63 0.00 2.65 2.88 0.00 0.00 6.59 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 0.00 222 V 7.55 3.85 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 0.83 0.00 0.00 1.23 0.00 0.00 223 S 7.72 4.67 0.00 4.06 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 0.00 224 P 0.00 4.19 0.00 2.14 2.05 0.00 3.61 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 2.10 2.13 0.00 225 R 7.94 3.90 0.00 1.94 1.95 0.00 3.26 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 226 R 8.12 3.90 0.00 2.00 2.07 0.00 3.40 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 227 L 7.69 3.81 0.00 1.81 1.74 0.91 0.80 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 0.00 228 L 8.18 3.99 0.00 1.79 1.77 0.99 1.00 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 0.00 229 N 8.57 4.31 0.00 3.01 2.93 0.00 0.00 6.67 7.70 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 0.00 230 F 8.03 4.12 0.00 2.51 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 0.00 231 L 8.04 3.54 0.00 1.77 1.55 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 232 E 8.64 4.42 0.00 2.13 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 2.50 2.35 0.00 233 S 8.46 4.18 0.00 4.02 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 0.00 234 R 7.04 4.29 0.00 1.68 1.82 0.00 3.17 0.00 0.00 3.36 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.98 0.00 235 G 7.87 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 M 8.08 4.16 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 237 A 8.41 4.24 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 4.20 0.00 2.03 2.00 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 8.07 3.99 1.60 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 1.13 0.83 -0.13 0.00 0.00 240 A 8.34 4.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 E 7.87 4.02 0.00 1.64 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 242 F 7.95 4.96 0.00 3.15 2.91 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 0.00 243 A 7.92 3.99 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 0.00 244 D 8.01 4.80 0.00 2.71 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 0.00 245 L 7.99 4.22 0.00 1.72 1.54 0.60 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.