NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4625 8.3001 118.7895 54.6115 32.7940 175.4288 2 A 4.5914 8.1498 130.4875 49.4402 19.4171 170.3766 3 V 4.1294 7.7700 120.3318 62.3931 34.1010 174.6413 4 V 3.7735 9.0889 125.6194 62.5304 33.3245 177.1289 5 K 3.8722 8.5557 124.1702 59.5913 32.0780 178.6029 6 E 3.9149 8.2177 118.3986 59.6272 29.3807 179.3871 7 V 3.5077 7.6773 117.1217 66.2054 31.5410 177.7289 8 L 3.9694 7.6369 118.2599 57.8731 41.4083 179.6224 9 E 3.9340 8.3820 118.4991 59.5125 29.5007 179.3046 10 I 3.7111 7.8158 119.6004 64.4584 37.0688 178.4202 11 A 3.9940 8.0264 121.5621 54.7427 18.0379 179.3515 12 E 3.9343 7.8519 117.8451 59.5652 29.7258 179.2670 13 K 4.1043 8.0827 118.4297 59.3961 32.1537 179.5829 14 I 3.6967 7.7548 120.1482 64.2849 36.9084 178.3524 15 K 3.9311 8.5968 120.1837 59.2326 32.1210 177.7508 16 N 4.5723 8.2371 114.2446 53.0153 38.9213 174.9335 17 M 3.1711 7.6767 118.5882 56.5674 29.5372 177.8439 18 E 4.1020 8.8008 120.0472 57.8481 30.0054 177.1111 19 I 4.4278 7.6329 118.9723 59.4844 39.0183 174.7889 20 R 4.6226 8.7161 123.5733 54.5333 33.5814 175.9478 21 G 3.9022 8.9179 106.4516 46.1167 0.0000 174.0926 22 A 4.3455 8.5816 127.2973 54.5565 18.2238 180.1048 23 G 3.5698 8.1763 103.2187 48.0079 0.0000 175.7581 24 K 3.9311 8.0348 121.2924 58.8944 32.1483 179.2539 25 I 3.6540 8.0131 119.8418 64.3488 37.0999 178.1932 26 A 3.9138 7.7670 121.2407 55.3469 18.2094 179.5238 27 R 3.9631 8.1488 117.2677 59.7509 30.0392 178.9256 28 S 4.1587 8.1916 114.6431 61.5933 62.8752 176.5237 29 A 3.9394 8.0664 123.2443 55.0471 18.1197 179.5206 30 A 3.8746 8.1207 119.3432 55.5204 18.4907 179.3010 31 Y 4.1933 8.2675 117.8137 60.5009 38.8227 178.0009 32 A 3.8564 8.0842 122.0495 55.0567 18.6314 179.5772 33 L 3.8388 7.8251 117.5567 57.9238 41.6660 179.4437 34 Q 3.9979 8.0268 119.4647 59.0809 28.8381 178.6216 35 L 3.7637 7.5478 119.8743 57.8842 41.5390 179.1313 36 Q 3.8922 7.8088 117.5759 58.9150 28.8187 178.0347 37 A 4.7385 7.5374 120.4661 54.7381 19.0796 179.1529 38 E 4.1652 8.1541 116.3036 58.4166 31.0147 178.7515 39 K 4.3918 7.7919 120.0837 54.9007 31.3758 174.4088 40 S 4.7562 7.8080 118.3282 57.1857 65.1296 173.8843 41 K 4.1584 8.7576 125.1904 56.7827 32.2721 176.6731 42 A 5.1535 7.5362 121.8521 52.1319 18.7238 177.2982 43 T 4.6471 8.3152 104.4781 61.1331 71.4232 173.7637 44 N 5.1088 7.8621 118.1424 50.4253 40.0759 175.1153 45 V 4.0090 8.4463 117.3112 64.5296 31.9171 176.4928 46 D 5.0664 8.2815 118.1290 56.1337 42.5816 177.7063 47 E 3.9951 9.8886 121.1664 59.0395 29.5231 178.5920 48 F 4.3936 8.1327 120.4591 61.2410 39.6952 176.8984 49 W 4.0859 8.4389 127.4794 60.1667 30.3570 177.7538 50 K 3.6443 8.2040 119.8882 59.4161 31.7897 178.7983 51 E 3.9004 8.1114 117.6795 59.3891 29.5502 178.9220 52 M 3.6991 7.7775 120.3253 58.0539 31.9800 178.7577 53 K 3.6975 7.2071 118.3918 58.7885 31.9028 179.2039 54 Q 3.8140 7.7218 119.8782 59.0051 28.9755 178.2738 55 A 3.8438 7.7871 121.3307 55.2267 18.4943 179.4397 56 A 3.5516 7.5134 118.8180 54.9770 18.2578 179.8189 57 K 3.6307 7.6473 117.9883 59.5017 32.0195 179.0244 58 I 3.6222 7.1087 119.2015 64.1902 37.2906 177.6827 59 L 3.9945 7.8232 119.5623 58.0295 41.1460 179.5000 60 F 4.0521 7.7971 120.0434 61.4172 39.1171 176.5720 61 E 3.7845 7.9532 114.9597 57.4812 29.3480 178.6315 62 T 4.2266 7.3058 110.4100 63.4999 67.7739 174.5685 63 R 4.3381 7.3005 123.1015 53.3555 32.3005 173.7925 64 P 4.1700 0.0000 0.0000 65.6631 31.5275 178.6345 65 T 3.8567 8.0738 113.7519 66.6845 68.6658 173.9560 66 A 3.7392 7.0794 119.6644 51.5356 17.5718 177.4185 67 V 3.8804 8.6644 123.8544 65.7054 32.1891 178.4353 68 S 4.8534 7.9814 115.8279 60.6041 62.8677 175.5231 69 L 3.8785 7.9616 123.8433 57.8397 41.7440 176.7375 70 P 4.5205 0.0000 0.0000 66.1010 31.3446 178.3994 71 N 3.8800 7.6986 114.8724 55.8482 38.4090 177.3306 72 A 2.9149 7.8686 122.2071 54.6467 18.3779 179.7243 73 L 3.8003 7.6889 117.2935 58.0900 41.7361 179.8588 74 R 4.2488 8.4593 118.2392 59.4751 29.9905 178.3501 75 Y 4.1901 8.7608 119.5628 61.0774 38.7445 178.6285 76 V 3.8920 7.9263 118.8309 66.2222 31.6154 177.7903 77 M 4.4518 8.9461 118.6952 58.0126 31.8948 178.3307 78 H 4.2454 8.9074 119.2073 59.5042 30.1572 177.5789 79 R 3.9849 7.7336 118.6096 58.9595 29.7770 179.4742 80 G 3.7079 7.9971 105.5271 47.8661 0.0000 175.7964 81 K 3.2764 8.8079 123.0789 58.7675 31.8782 178.9532 82 I 3.6504 7.5749 119.3672 64.1115 37.2521 177.8579 83 A 4.0762 8.0527 121.7230 55.3461 18.1089 178.5769 84 Y 3.9391 8.3093 118.4935 60.9669 38.4948 178.0005 85 S 3.9050 7.6249 112.5130 59.2391 62.4930 175.2049 86 S 4.4847 7.4303 115.8259 57.5882 62.0188 175.3747 87 G 3.6532 7.7405 107.8933 45.2073 0.0000 173.8824 88 A 4.0073 6.8826 121.8776 52.3030 19.1071 177.7210 89 D 4.6850 8.3613 119.3509 53.5989 43.6741 176.5077 90 L 4.0397 8.3976 122.2229 58.2182 41.8191 178.3353 91 E 3.8678 8.1097 118.3318 58.9390 29.6092 179.4039 92 Q 3.9544 7.4100 119.6044 59.0740 29.2627 177.6401 93 L 4.0930 8.5235 121.8140 58.0953 42.1136 178.6030 94 R 4.1065 8.0847 118.8294 59.5962 29.9236 177.9601 95 F 4.0617 7.9755 120.1422 61.3833 39.3629 176.9893 96 V 3.7197 7.9334 117.1266 66.4225 31.3399 177.9995 97 I 3.8728 8.0816 119.2614 64.5008 36.8732 178.6119 98 I 3.7502 8.0590 120.6951 64.5768 36.8927 178.3309 99 N 4.3093 8.1553 116.9800 55.7311 38.2048 177.5591 100 A 4.1674 8.1673 122.3317 55.1125 18.5784 179.5499 101 A 4.0785 8.1046 119.2569 55.4877 18.5890 179.9207 102 K 4.0576 8.4750 117.4455 59.7872 32.1103 179.2137 103 E 4.0762 8.7309 119.8669 58.8995 29.4835 178.6756 104 F 3.7657 8.5033 120.9809 61.1922 39.4843 176.8900 105 I 3.6703 8.4209 119.7678 64.8020 37.0556 177.6533 106 H 4.0507 8.2547 118.6057 59.4633 29.4747 176.4735 107 N 4.1735 7.9198 117.1889 56.8470 38.8830 176.3985 108 S 4.2477 8.1213 114.6306 61.4994 62.2845 175.8149 109 E 3.9131 8.2321 120.3957 59.1543 29.4475 178.7900 110 K 4.2154 7.9374 116.0864 56.6172 32.4112 178.3370 111 A 3.9850 7.9125 122.7102 55.6994 18.1982 179.6580 112 L 3.9467 7.9269 116.2393 57.7463 41.7041 179.4421 113 E 3.8503 8.0309 118.7074 59.4703 29.7317 178.8349 114 R 3.8190 8.1605 118.2357 59.3135 30.0565 179.1267 115 I 3.9998 8.1330 119.7779 64.3101 37.0367 178.5928 116 G 3.7465 7.7496 107.5223 47.2207 0.0000 175.3957 117 E 3.8769 8.0202 121.1104 59.2003 29.2887 179.4319 118 F 4.4583 8.0331 116.6940 60.7905 39.3405 177.8288 119 G 3.8090 8.7925 105.4862 47.6581 0.0000 175.6543 120 A 4.1154 8.3644 123.1652 54.9295 18.1159 179.7927 121 K 4.1428 7.7392 116.2697 59.0461 32.1066 178.0459 122 R 4.4156 7.7225 115.9462 55.8343 30.2833 175.7327 123 I 4.4912 7.9682 120.3495 59.5055 39.0749 174.9784 124 E 4.6895 9.3856 124.8233 53.8726 31.8845 175.0641 125 D 4.4318 8.4973 120.9126 56.2769 41.4003 176.8952 126 G 4.0266 9.1761 115.6601 44.8761 0.0000 173.1184 127 D 4.6818 8.2714 121.0639 54.4108 42.2341 175.4397 128 V 4.5841 9.0106 123.5389 61.5994 33.3051 174.3436 129 I 5.0502 9.0376 129.4020 59.7873 39.9132 174.2405 130 M 5.0397 8.8630 126.7385 54.3784 34.7067 174.5393 131 T 5.0466 8.5096 118.6888 61.1356 71.9399 171.2418 132 H 4.9542 8.3934 120.8604 55.0956 32.8837 174.2504 133 C 3.6471 8.2428 121.8066 60.3984 31.2152 173.6770 134 H 5.0340 8.5140 111.9721 52.3801 30.2209 171.8821 135 S 4.6418 8.0305 118.2337 55.8091 64.1498 173.7047 136 K 3.9183 8.5852 128.9393 59.5371 31.7262 179.0105 137 A 3.9650 7.9206 119.0818 55.1060 18.8137 179.0979 138 A 4.1019 7.9034 118.7425 55.4829 18.5422 179.7717 139 I 3.7407 8.2657 118.7527 64.5660 36.8504 178.6368 140 S 4.0736 8.3747 114.2712 60.9325 62.1391 176.4735 141 V 3.7070 7.6229 120.9915 66.1847 31.3399 177.9625 142 M 4.1463 7.9809 118.0322 58.1968 31.7915 178.5511 143 K 3.8836 8.2790 119.9522 59.8358 32.2303 179.1125 144 T 3.8500 7.9118 115.8038 66.5367 68.4190 176.6227 145 A 4.3152 8.1346 124.1657 54.2736 18.3436 179.5399 146 W 4.3220 8.2203 127.0792 60.6052 30.6484 178.0330 147 E 4.0872 8.5770 117.3083 58.2725 29.0912 178.0159 148 Q 4.4375 7.6456 118.1385 55.1826 28.7091 176.9522 149 G 3.7571 7.6762 107.5289 45.4118 0.0000 174.1741 150 K 4.0298 7.5493 119.4536 56.1514 32.9546 177.2008 151 D 4.8210 10.2127 126.8586 53.3479 40.7362 174.9329 152 I 5.1300 8.5829 117.5135 58.6353 41.1869 174.7272 153 K 4.7331 8.7584 122.9159 54.6993 35.8437 174.7500 154 V 4.7968 8.5711 126.8193 61.2329 34.2228 174.3171 155 I 4.5110 9.1905 130.4588 60.3747 38.3637 174.9343 156 V 4.4545 8.8585 129.4195 61.4686 32.9243 174.8943 157 T 4.4577 8.1676 117.9421 61.2370 70.0585 174.9583 158 E 3.5506 9.0765 128.2712 59.0510 30.1724 176.3803 159 T 3.5110 8.1323 113.1765 64.0601 65.2163 171.6335 160 R 3.5049 8.1606 120.9737 55.3631 31.2028 175.8718 161 P 3.9801 0.0000 0.0000 64.8167 31.3710 177.2681 162 K 4.2648 7.8335 116.0802 55.9590 32.2205 176.7868 163 W 3.8495 7.4803 118.3316 57.5379 27.4333 176.3929 164 Q 4.2804 7.6275 115.5948 58.6521 28.0967 178.5603 165 G 3.7713 8.3672 107.2806 47.6040 0.0000 175.8957 166 K 4.0934 8.4927 120.7350 59.5598 32.0162 179.4458 167 I 3.6947 7.7696 119.5024 64.6598 37.1754 178.5399 168 T 3.9543 7.9318 116.1776 66.3778 68.2069 176.6691 169 A 4.0171 8.6412 123.0136 55.2069 18.4279 179.8211 170 K 3.8111 8.0999 116.9199 59.4419 31.8986 179.1888 171 E 3.6405 8.0873 118.4410 59.1783 29.8958 178.4798 172 L 4.1874 8.0852 118.9031 57.9297 41.7224 179.3544 173 A 4.1423 8.4583 122.5022 54.5393 17.9910 179.7018 174 S 4.0297 7.7459 112.0972 61.7163 62.9547 175.8129 175 Y 4.5389 7.2062 117.9608 58.5724 37.8841 176.3593 176 G 3.9407 8.0596 108.8093 44.9406 0.0000 173.5296 177 I 2.6906 6.9524 121.2658 59.3488 37.9701 173.5159 178 P 4.4241 0.0000 0.0000 62.8295 32.2797 175.4293 179 V 4.9189 8.2725 122.8269 61.0933 35.0112 174.5834 180 I 4.4355 8.6106 127.5367 59.7249 39.7168 173.7670 181 Y 4.8976 8.6290 129.0294 56.5950 39.7765 174.6930 182 V 4.5676 8.2688 125.5720 60.9033 35.9316 174.6225 183 V 4.0098 8.3342 124.2477 62.5429 32.5069 176.5826 184 D 4.3572 8.8590 125.7225 57.8772 40.7197 178.9465 185 S 4.2102 8.1512 111.6493 60.2468 62.9151 174.9518 186 A 4.6279 8.1057 121.9578 51.7475 18.9243 178.0643 187 A 4.0131 7.9738 121.9500 55.5773 18.6324 180.2220 188 R 4.0038 7.8172 117.9333 59.3661 30.1659 177.7915 189 H 3.8158 8.2105 116.5607 58.9278 29.9822 174.8759 190 Y 4.6371 7.6602 114.1451 57.8596 38.6162 177.0452 191 M 4.1582 8.0686 121.3632 57.9592 32.5316 178.3843 192 K 3.9989 7.9813 117.4217 58.6384 32.3160 177.3074 193 M 4.6865 7.8384 114.1324 54.9928 31.4117 175.2474 194 T 4.5843 7.5580 115.5982 62.8984 70.1408 174.1940 195 D 4.8813 9.0302 125.0875 55.3958 42.7017 177.0963 196 K 5.0538 7.9220 115.6177 54.6574 37.2069 175.5386 197 V 4.7969 8.9276 123.0164 61.1651 34.2224 174.4595 198 V 4.8564 8.6926 127.5721 61.6480 33.7714 174.1323 199 M 4.8335 8.8909 126.6909 53.8504 36.5924 174.7846 200 G 4.2383 8.3214 107.7928 44.3200 0.0000 172.5181 201 A 5.0485 7.8088 118.9028 52.1293 21.8628 176.2895 202 D 4.5794 9.0691 123.5471 57.2613 41.8681 176.3194 203 S 4.6331 7.3527 109.8245 57.5912 66.1345 174.0811 204 I 4.7873 8.3866 122.0152 59.6474 40.0627 175.8825 205 T 4.5157 8.5396 117.0854 60.4171 70.4960 176.2449 206 V 3.7852 7.9311 115.1862 64.1661 31.4745 177.3496 207 N 4.5782 8.1155 114.7156 53.0314 38.7346 175.6653 208 G 3.8071 8.5166 106.7716 45.5815 0.0000 173.7656 209 A 4.2894 7.9206 121.4875 51.4438 20.0597 177.3218 210 V 4.3251 8.4699 120.4896 61.2202 33.8124 174.6423 211 I 4.5632 8.4526 129.7910 60.2908 38.5777 174.4944 212 N 5.1243 8.6659 123.1658 51.8561 43.4323 173.0242 213 K 4.4602 9.0266 122.4782 56.8160 32.9608 175.5599 214 I 3.9404 8.0015 120.5284 62.8799 37.6380 174.7187 215 G 4.0875 9.3820 111.2005 46.4934 0.0000 176.0023 216 T 3.7542 7.9893 116.0834 66.8321 68.3910 176.4058 217 A 4.5762 8.0595 123.0559 54.4313 18.4208 179.7291 218 L 3.9187 7.7439 117.2913 58.0793 41.7809 179.5770 219 I 3.6711 7.8153 119.4562 64.2930 36.9520 178.3419 220 A 3.9616 8.1313 121.6635 54.9303 18.1904 179.1833 221 L 3.0527 8.0165 118.9403 58.6351 42.3084 179.3586 222 T 3.9725 7.8204 112.1818 64.7800 67.2154 176.1238 223 A 4.1171 8.0239 123.2446 54.8846 18.4981 179.5009 224 K 3.8919 8.1782 118.4763 59.5679 32.0495 178.7136 225 E 3.9660 8.0120 118.4179 58.4697 29.5294 177.4149 226 H 4.7289 7.5352 113.5275 54.2857 29.4854 174.2498 227 R 3.8378 7.6043 118.2215 57.1111 28.1103 176.1382 228 V 4.1255 8.1262 118.4447 61.3887 32.4038 175.3121 229 W 4.5303 9.1637 135.0000 58.7513 31.7434 174.3390 230 T 4.8667 9.1795 124.4472 62.1296 70.4785 173.2076 231 M 4.8730 9.4449 127.3349 53.4071 35.5149 175.0811 232 I 4.8248 8.3795 122.5269 59.4885 40.2196 174.3846 233 A 4.9867 9.0153 130.2233 50.9385 20.2194 175.8403 234 A 4.5598 9.2408 123.8125 50.7931 23.3239 175.9759 235 E 4.3687 8.6625 121.1917 56.1231 30.4788 178.2986 236 T 3.9101 9.9090 113.5645 65.1289 68.8525 175.7709 237 Y 4.6396 7.7525 117.3299 58.2218 38.0793 176.4726 238 K 4.6004 8.2313 119.9297 56.6028 33.5569 175.8060 239 F 4.5674 8.8359 121.0415 57.2762 39.4701 174.4350 240 H 5.0653 9.3237 125.5286 53.6647 30.9933 173.0759 241 P 3.5756 0.0000 0.0000 63.9111 31.5692 175.6887 242 E 4.5482 7.5889 117.3519 54.8771 31.9141 174.5783 243 T 4.5255 8.0492 115.2084 63.0525 69.6630 175.1213 244 M 4.8265 8.1867 119.7700 54.9335 35.5740 177.1647 245 L 3.9657 8.3281 118.5406 57.4461 41.7834 178.2209 246 G 4.2216 7.9175 102.8179 45.1107 0.0000 172.6182 247 Q 4.4567 8.2492 121.7617 56.5042 30.7716 177.3092 248 L 4.3924 7.5986 116.5943 55.4930 41.8074 181.7720 249 V 3.9760 7.3355 112.8078 59.5029 30.3553 172.9818 *252 E 4.0204 7.9840 121.7006 55.9606 30.5679 174.0564 253 M 4.7489 8.4642 125.7461 54.2099 33.5420 175.9641 254 R 4.5168 8.3773 122.1841 53.7691 33.5414 175.2361 255 D 4.2804 8.5911 119.0455 54.6324 41.4868 175.7057 256 P 4.2966 0.0000 0.0000 65.6287 31.5748 178.2320 257 T 4.8151 8.0792 106.4650 62.8162 68.8897 175.5154 258 E 4.0595 8.1271 122.1432 59.0287 29.8256 178.4244 259 V 3.7195 7.6455 117.7597 64.5828 32.1293 175.9641 260 I 4.2216 7.1790 122.6772 58.2238 38.8203 173.1282 261 P 4.3305 0.0000 0.0000 62.7272 33.0148 176.0916 262 E 4.1281 8.8313 122.1575 60.1211 29.2341 179.0569 263 D 4.3548 8.0159 117.0737 57.5159 41.3347 178.3467 264 E 4.0204 7.8359 119.0330 59.0838 29.9325 178.2795 265 L 3.4114 8.5099 121.5357 57.9211 41.8489 179.0622 266 K 4.0765 7.8027 117.2201 59.0125 32.1560 177.5707 267 T 4.3315 7.5765 111.1648 62.0036 67.4049 174.1452 268 W 4.8871 7.6420 119.6225 55.0530 30.6082 174.1879 269 P 4.3942 0.0000 0.0000 63.0387 31.2683 176.4583 270 K 4.3019 8.4493 117.8035 58.1432 32.5147 177.7838 271 N 4.6577 8.1123 113.6980 52.9392 37.8269 174.5181 272 I 4.2138 7.5471 120.7548 60.0211 38.3019 174.3516 273 E 4.6021 8.6717 126.0768 54.2048 31.3778 174.9250 274 V 4.1736 8.5696 126.3669 61.3913 32.0478 174.6478 275 W 5.0170 8.6431 127.5871 55.4173 31.0218 176.3698 276 N 5.0060 8.3360 120.2773 50.7657 38.2539 170.9260 277 P 4.4318 0.0000 0.0000 62.3348 32.7733 177.4545 278 A 3.7061 8.6074 125.9780 54.4134 18.3288 176.6636 279 F 5.7431 7.3970 111.2138 55.8719 43.5482 173.3755 280 D 4.9618 9.0298 118.1873 52.2105 43.4750 174.2989 281 V 4.4006 8.3169 118.4697 61.4865 33.5465 174.7066 282 T 4.4513 8.6998 125.7229 61.5645 69.8468 173.0689 283 P 4.3724 0.0000 0.0000 61.7672 32.2840 175.6311 284 P 4.2300 0.0000 0.0000 65.6729 31.4169 178.5546 285 E 4.0573 7.9550 114.5524 59.0033 29.5259 176.9819 286 Y 4.7221 7.7278 115.6890 57.7445 38.0684 175.0685 287 V 4.2763 7.5482 120.3160 60.9744 33.8052 174.9528 288 D 4.2925 8.2060 127.6088 57.1473 41.0095 177.1315 289 V 4.5483 7.0405 109.1209 60.0682 36.7391 173.1895 290 I 4.8662 9.0188 123.8383 59.7203 39.8881 174.8129 291 I 4.6074 9.2339 129.6030 60.4193 38.4579 175.2295 292 T 5.4815 8.0396 117.3477 58.8633 71.6140 175.1532 293 E 4.1527 8.8150 119.8312 58.7278 29.5853 178.1897 294 R 4.3173 8.3552 116.0079 55.3615 30.7534 175.1448 295 G 2.9007 6.0633 104.5949 42.5081 0.0000 172.6953 296 I 4.6815 7.4065 121.3020 60.3112 38.0432 175.7808 297 I 4.7916 8.5188 119.6057 58.2397 41.6685 172.8018 298 P 4.4887 0.0000 0.0000 61.7642 32.5732 175.2565 299 P 4.1460 0.0000 0.0000 66.1287 31.2501 177.9853 300 Y 4.3145 7.3954 111.2805 58.1653 37.9887 176.4151 301 A 4.6879 8.0450 123.6691 51.5717 19.1255 178.6366 302 A 4.1779 8.0485 121.2537 55.6573 18.4732 180.0082 303 I 3.7399 7.8410 116.0860 64.1363 37.8577 177.6875 304 D 4.4348 8.1666 120.1549 57.1392 40.5240 178.7146 305 I 3.5142 7.4076 119.9372 64.2933 37.1395 178.2091 306 L 4.1667 7.9016 119.8408 57.8525 40.8772 179.5731 307 R 4.3284 7.9878 120.0144 59.0844 29.9618 178.4096 308 E 3.9535 8.4235 117.9533 59.2507 29.5341 179.0993 309 E 4.0302 8.0876 117.9763 58.5195 29.7038 178.4059 310 F 5.0644 7.4207 114.4365 56.7686 39.6736 175.9956 311 G 3.5211 7.9435 106.8507 45.9553 0.0000 173.9560 312 W 4.3331 8.1434 127.1344 56.5899 32.1641 174.4135 313 A 3.2398 5.8000 123.5856 51.3482 21.1939 177.0812 314 L 3.8464 7.1835 116.6426 55.2299 41.3020 179.5686 315 K 3.9122 7.3339 119.0924 58.2048 33.0394 176.5122 316 Y 3.5559 6.8988 115.9945 58.5069 35.6461 172.5366 317 T 4.3885 7.0912 114.3334 62.0896 72.7891 174.3036 318 E 3.5794 8.3013 127.7892 54.9520 30.1877 175.6234 319 P 4.3933 0.0000 0.0000 65.2124 31.5065 177.1331 320 W 4.5216 7.2585 112.5289 56.0194 28.2084 174.8754 321 E 4.7074 7.7615 119.0488 54.5740 32.1574 175.7648 322 D 4.2222 8.3265 117.9950 54.6923 38.8028 176.3887 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 4.46 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 8.15 4.59 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 3 V 7.77 4.13 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 0.83 0.00 0.00 0.85 0.00 0.00 4 V 9.09 3.77 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 0.95 0.00 0.00 0.99 0.00 0.00 5 K 8.56 3.87 0.00 1.85 1.78 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.53 7.81 6 E 8.22 3.91 0.00 1.94 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 2.38 2.29 0.00 7 V 7.68 3.51 2.19 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 0.98 0.00 0.00 0.90 0.00 0.00 8 L 7.64 3.97 0.00 1.85 1.69 0.89 1.37 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 9 E 8.38 3.93 0.00 2.19 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 2.32 2.55 0.00 10 I 7.82 3.71 1.98 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 1.51 1.16 0.92 0.00 0.00 11 A 8.03 3.99 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 12 E 7.85 3.93 0.00 2.19 2.12 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 2.29 2.38 0.00 13 K 8.08 4.10 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.63 7.81 14 I 7.75 3.70 1.96 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 1.24 0.87 0.00 0.00 15 K 8.60 3.93 0.00 1.76 1.81 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.43 7.81 16 N 8.24 4.57 0.00 2.78 2.83 0.00 0.00 7.14 8.37 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 17 M 7.68 3.17 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 18 E 8.80 4.10 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 19 I 7.63 4.43 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 20 R 8.72 4.62 0.00 1.76 1.81 0.00 3.40 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 21 G 8.92 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 22 A 8.58 4.35 1.49 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 23 G 8.18 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.03 3.93 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.54 7.81 25 I 8.01 3.65 1.94 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 1.53 0.87 0.89 0.00 0.00 26 A 7.77 3.91 1.16 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 0.00 0.00 27 R 8.15 3.96 0.00 2.08 1.93 0.00 3.16 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 28 S 8.19 4.16 0.00 4.13 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 29 A 8.07 3.94 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 30 A 8.12 3.87 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 31 Y 8.27 4.19 0.00 3.18 3.17 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 32 A 8.08 3.86 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 33 L 7.83 3.84 0.00 1.84 1.67 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.03 4.00 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 35 L 7.55 3.76 0.00 1.72 1.53 0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.81 3.89 0.00 1.93 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 37 A 7.54 4.74 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.17 0.00 1.95 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 2.36 2.59 0.00 39 K 7.79 4.39 0.00 1.85 1.84 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.42 7.81 40 S 7.81 4.76 0.00 4.31 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 41 K 8.76 4.16 0.00 1.81 1.86 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 42 A 7.54 5.15 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 43 T 8.32 4.65 4.26 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 1.27 0.00 0.00 44 N 7.86 5.11 0.00 2.98 2.98 0.00 0.00 5.93 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 45 V 8.45 4.01 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 1.04 0.00 0.00 0.98 0.00 0.00 46 D 8.28 5.07 0.00 2.98 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 47 E 9.89 4.00 0.00 2.08 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 2.36 2.36 0.00 48 F 8.13 4.39 0.00 3.19 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 49 W 8.44 4.09 0.00 3.19 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 50 K 8.20 3.64 0.00 2.09 1.72 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.59 7.81 51 E 8.11 3.90 0.00 2.14 2.12 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 2.43 2.14 0.00 52 M 7.78 3.70 0.00 1.51 1.60 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.53 0.00 53 K 7.21 3.70 0.00 1.56 1.61 0.00 1.50 0.00 0.00 1.37 0.00 0.00 2.25 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.68 0.21 7.81 54 Q 7.72 3.81 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 55 A 7.79 3.84 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 56 A 7.51 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.65 3.63 0.00 2.00 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.69 7.81 58 I 7.11 3.62 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.84 0.00 0.00 59 L 7.82 3.99 0.00 1.47 1.60 0.81 0.75 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 60 F 7.80 4.05 0.00 2.45 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 61 E 7.95 3.78 0.00 2.02 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 2.34 2.52 0.00 62 T 7.31 4.23 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 63 R 7.30 4.34 0.00 1.89 1.79 0.00 3.23 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 64 P 0.00 4.17 0.00 1.97 2.01 0.00 3.60 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 65 T 8.07 3.86 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 1.22 0.00 0.00 66 A 7.08 3.74 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 67 V 8.66 3.88 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 0.90 0.00 0.00 0.82 0.00 0.00 68 S 7.98 4.85 0.00 4.16 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 0.00 69 L 7.96 3.88 0.00 1.75 1.69 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.52 0.00 2.36 2.55 0.00 3.87 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 71 N 7.70 3.88 0.00 2.72 1.49 0.00 0.00 6.86 7.42 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 72 A 7.87 2.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.69 3.80 0.00 1.82 1.33 0.41 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.46 4.25 0.00 2.14 2.39 0.00 3.29 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.08 0.00 75 Y 8.76 4.19 0.00 3.53 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 76 V 7.93 3.89 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 1.11 0.00 0.00 1.06 0.00 0.00 77 M 8.95 4.45 0.00 2.31 2.53 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.88 0.00 78 H 8.91 4.25 0.00 3.36 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.73 3.98 0.00 1.94 1.96 0.00 2.86 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 80 G 8.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.81 3.28 0.00 2.24 2.03 0.00 2.00 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.63 7.81 82 I 7.57 3.65 1.95 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 1.35 0.44 0.84 0.00 0.00 83 A 8.05 4.08 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 84 Y 8.31 3.94 0.00 2.07 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 85 S 7.62 3.90 0.00 3.83 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 86 S 7.43 4.48 0.00 3.94 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 87 G 7.74 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 88 A 6.88 4.01 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 89 D 8.36 4.69 0.00 2.79 2.55 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 0.00 90 L 8.40 4.04 0.00 1.88 1.55 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.11 3.87 0.00 1.98 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 2.35 2.29 0.00 92 Q 7.41 3.95 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 93 L 8.52 4.09 0.00 2.00 2.05 1.04 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.08 4.11 0.00 1.15 1.92 0.00 3.04 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 95 F 7.98 4.06 0.00 3.20 3.27 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 96 V 7.93 3.72 2.41 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 1.10 0.00 0.00 1.16 0.00 0.00 97 I 8.08 3.87 2.26 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 1.76 0.87 1.01 0.00 0.00 98 I 8.06 3.75 1.90 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 1.57 0.99 0.88 0.00 0.00 99 N 8.16 4.31 0.00 2.55 2.76 0.00 0.00 6.95 7.15 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 0.00 100 A 8.17 4.17 1.55 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 0.00 0.00 0.00 101 A 8.10 4.08 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 0.00 102 K 8.47 4.06 0.00 1.89 1.93 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.68 7.81 103 E 8.73 4.08 0.00 2.24 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 0.00 2.45 2.42 0.00 104 F 8.50 3.77 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.42 3.67 2.10 0.00 0.00 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 1.55 0.83 0.91 0.00 0.00 106 H 8.25 4.05 0.00 3.34 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 7.92 4.17 0.00 2.74 2.90 0.00 0.00 7.27 7.19 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 0.00 108 S 8.12 4.25 0.00 3.40 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 0.00 109 E 8.23 3.91 0.00 1.98 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 2.31 2.54 0.00 110 K 7.94 4.22 0.00 1.71 1.77 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.39 7.81 111 A 7.91 3.98 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 L 7.93 3.95 0.00 1.71 1.75 0.95 0.81 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 0.00 113 E 8.03 3.85 0.00 2.01 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 2.32 2.36 0.00 114 R 8.16 3.82 0.00 1.96 2.05 0.00 3.42 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 115 I 8.13 4.00 1.97 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 1.59 0.88 0.96 0.00 0.00 116 G 7.75 3.75 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 0.00 0.00 0.00 117 E 8.02 3.88 0.00 1.97 1.58 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 2.11 2.26 0.00 118 F 8.03 4.46 0.00 3.18 3.05 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 0.00 119 G 8.79 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 0.00 120 A 8.36 4.12 1.50 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 0.00 121 K 7.74 4.14 0.00 1.96 1.94 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.71 7.81 122 R 7.72 4.42 0.00 2.12 2.10 0.00 3.45 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 123 I 7.97 4.49 2.05 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 1.62 0.91 0.97 0.00 0.00 124 E 9.39 4.69 0.00 2.19 1.82 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 2.20 2.18 0.00 125 D 8.50 4.43 0.00 2.60 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 0.00 126 G 9.18 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 0.00 127 D 8.27 4.68 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 128 V 9.01 4.58 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 1.03 0.00 0.00 0.96 0.00 0.00 129 I 9.04 5.05 1.91 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 1.18 0.93 1.00 0.00 0.00 130 M 8.86 5.04 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 131 T 8.51 5.05 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 1.23 0.00 0.00 132 H 8.39 4.95 0.00 3.08 3.12 0.00 5.95 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 0.00 133 C 8.24 3.65 0.00 3.08 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.51 5.03 0.00 3.25 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.03 4.64 0.00 3.90 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 0.00 136 K 8.59 3.92 0.00 1.84 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.50 7.81 137 A 7.92 3.97 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 0.00 138 A 7.90 4.10 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 0.00 139 I 8.27 3.74 2.11 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 1.47 0.67 1.07 0.00 0.00 140 S 8.37 4.07 0.00 3.93 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 0.00 141 V 7.62 3.71 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.08 0.00 0.00 142 M 7.98 4.15 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.64 0.00 143 K 8.28 3.88 0.00 1.59 1.68 0.00 0.61 0.00 0.00 1.27 0.00 0.00 2.63 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 0.78 7.81 144 T 7.91 3.85 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 1.18 0.00 0.00 145 A 8.13 4.32 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 0.00 146 W 8.22 4.32 0.00 3.53 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.58 4.09 0.00 2.08 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 2.38 2.55 0.00 148 Q 7.65 4.44 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.76 0.00 0.00 0.00 0.00 0.00 2.29 2.65 0.00 149 G 7.68 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.55 4.03 0.00 1.89 1.79 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.71 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.35 7.81 151 D 10.21 4.82 0.00 2.86 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.58 5.13 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.02 1.03 0.00 0.00 153 K 8.76 4.73 0.00 1.87 1.64 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.48 7.81 154 V 8.57 4.80 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 1.03 0.00 0.00 0.94 0.00 0.00 155 I 9.19 4.51 1.84 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 0.96 0.86 0.82 0.00 0.00 156 V 8.86 4.45 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 1.07 0.00 0.00 0.96 0.00 0.00 157 T 8.17 4.46 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 1.20 0.00 0.00 158 E 9.08 3.55 0.00 1.96 1.93 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 2.29 2.82 0.00 159 T 8.13 3.51 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 1.05 0.00 0.00 160 R 8.16 3.50 0.00 1.56 1.53 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.34 0.00 161 P 0.00 3.98 0.00 2.20 2.00 0.00 3.63 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.08 0.00 162 K 7.83 4.26 0.00 1.93 1.92 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.55 1.42 7.81 163 W 7.48 3.85 0.00 3.52 3.32 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 0.00 164 Q 7.63 4.28 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 165 G 8.37 3.77 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 0.00 0.00 0.00 166 K 8.49 4.09 0.00 1.99 1.84 0.00 1.56 0.00 0.00 1.45 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.72 7.81 167 I 7.77 3.69 1.91 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 1.63 0.91 0.67 0.00 0.00 168 T 7.93 3.95 4.46 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 1.26 0.00 0.00 169 A 8.64 4.02 1.49 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 0.00 170 K 8.10 3.81 0.00 1.83 1.79 0.00 1.71 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.37 7.81 171 E 8.09 3.64 0.00 2.04 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 2.19 2.16 0.00 172 L 8.09 4.19 0.00 1.74 1.67 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.46 4.14 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 0.00 174 S 7.75 4.03 0.00 3.82 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Y 7.21 4.54 0.00 2.96 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 0.00 176 G 8.06 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 I 6.95 2.69 1.72 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 0.46 -0.08 0.70 0.00 0.00 178 P 0.00 4.42 0.00 2.04 1.96 0.00 3.50 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 179 V 8.27 4.92 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 0.86 0.00 0.00 1.00 0.00 0.00 180 I 8.61 4.44 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.47 0.69 0.00 0.00 181 Y 8.63 4.90 0.00 2.96 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 0.00 182 V 8.27 4.57 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 1.01 0.00 0.00 0.76 0.00 0.00 183 V 8.33 4.01 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 1.06 0.00 0.00 1.06 0.00 0.00 184 D 8.86 4.36 0.00 2.72 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 0.00 185 S 8.15 4.21 0.00 3.86 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 0.00 186 A 8.11 4.63 1.49 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 0.00 187 A 7.97 4.01 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 0.00 188 R 7.82 4.00 0.00 1.89 1.92 0.00 3.25 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 189 H 8.21 3.82 0.00 2.99 3.17 0.00 5.76 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 Y 7.66 4.64 0.00 3.07 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 0.00 191 M 8.07 4.16 0.00 1.88 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 192 K 7.98 4.00 0.00 1.73 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.43 7.81 193 M 7.84 4.69 0.00 2.19 2.16 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 2.58 2.77 0.00 194 T 7.56 4.58 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 1.36 0.00 0.00 195 D 9.03 4.88 0.00 2.56 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 0.00 196 K 7.92 5.05 0.00 1.71 1.78 0.00 1.87 0.00 0.00 1.98 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.54 7.81 197 V 8.93 4.80 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 0.94 0.00 0.00 0.95 0.00 0.00 198 V 8.69 4.86 2.12 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 0.87 0.00 0.00 1.00 0.00 0.00 199 M 8.89 4.83 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 200 G 8.32 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 A 7.81 5.05 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 0.00 202 D 9.07 4.58 0.00 2.55 2.42 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 0.00 203 S 7.35 4.63 0.00 3.76 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 0.00 204 I 8.39 4.79 0.82 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.01 0.57 0.00 0.00 205 T 8.54 4.52 4.33 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 1.18 0.00 0.00 206 V 7.93 3.79 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 0.26 0.00 0.00 0.90 0.00 0.00 207 N 8.12 4.58 0.00 2.69 2.85 0.00 0.00 6.98 7.65 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 0.00 208 G 8.52 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 0.00 209 A 7.92 4.29 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 V 8.47 4.33 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 0.95 0.00 0.00 0.82 0.00 0.00 211 I 8.45 4.56 1.61 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.66 0.33 0.00 0.00 212 N 8.67 5.12 0.00 2.85 2.66 0.00 0.00 6.35 5.94 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 0.00 213 K 9.03 4.46 0.00 1.99 1.77 0.00 1.61 0.00 0.00 2.02 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.55 7.81 214 I 8.00 3.94 1.88 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 1.24 0.75 0.96 0.00 0.00 215 G 9.38 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 0.00 0.00 0.00 216 T 7.99 3.75 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 1.22 0.00 0.00 217 A 8.06 4.58 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 0.00 218 L 7.74 3.92 0.00 1.88 1.70 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 219 I 7.82 3.67 1.96 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.90 0.00 0.00 220 A 8.13 3.96 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 0.00 0.00 221 L 8.02 3.05 0.00 1.83 1.76 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 222 T 7.82 3.97 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 1.27 0.00 0.00 223 A 8.02 4.12 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 0.00 224 K 8.18 3.89 0.00 1.78 1.68 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.40 7.81 225 E 8.01 3.97 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 226 H 7.54 4.73 0.00 3.10 3.30 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 R 7.60 3.84 0.00 2.04 2.07 0.00 3.18 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 228 V 8.13 4.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.01 0.00 0.00 229 W 9.16 4.53 0.00 3.46 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 0.00 230 T 9.18 4.87 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 231 M 9.44 4.87 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 232 I 8.38 4.82 1.79 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 1.08 1.27 0.88 0.00 0.00 233 A 9.02 4.99 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 0.00 234 A 9.24 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 E 8.66 4.37 0.00 1.29 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 2.06 2.14 0.00 236 T 9.91 3.91 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 1.15 0.00 0.00 237 Y 7.75 4.64 0.00 3.23 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 K 8.23 4.60 0.00 1.87 1.75 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 239 F 8.84 4.57 0.00 3.21 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 0.00 240 H 9.32 5.07 0.00 3.02 3.12 0.00 5.95 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 0.00 241 P 0.00 3.58 0.00 1.73 1.19 0.00 3.51 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 242 E 7.59 4.55 0.00 2.14 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 0.00 2.26 2.27 0.00 243 T 8.05 4.53 4.26 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 1.21 0.00 0.00 244 M 8.19 4.83 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 245 L 8.33 3.97 0.00 1.61 1.73 0.87 0.74 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 0.00 246 G 7.92 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 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0.00 257 T 8.08 4.82 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 1.19 0.00 0.00 258 E 8.13 4.06 0.00 2.17 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 2.33 2.22 0.00 259 V 7.65 3.72 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 0.73 0.00 0.00 0.89 0.00 0.00 260 I 7.18 4.22 1.39 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.32 -0.04 0.00 0.00 261 P 0.00 4.33 0.00 2.08 1.97 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 262 E 8.83 4.13 0.00 2.03 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 2.37 2.47 0.00 263 D 8.02 4.35 0.00 2.66 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 0.00 264 E 7.84 4.02 0.00 1.94 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 2.13 2.38 0.00 265 L 8.51 3.41 0.00 1.65 1.61 0.70 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 266 K 7.80 4.08 0.00 1.81 1.87 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.67 7.81 267 T 7.58 4.33 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 1.49 0.00 0.00 268 W 7.64 4.89 0.00 3.51 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 0.00 269 P 0.00 4.39 0.00 2.01 2.07 0.00 3.53 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 1.89 2.08 0.00 270 K 8.45 4.30 0.00 1.77 1.89 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.44 7.81 271 N 8.11 4.66 0.00 2.83 2.93 0.00 0.00 5.99 7.81 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 0.00 272 I 7.55 4.21 1.99 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 1.00 0.00 0.00 273 E 8.67 4.60 0.00 1.97 1.82 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 2.61 2.44 0.00 274 V 8.57 4.17 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 0.96 0.00 0.00 1.04 0.00 0.00 275 W 8.64 5.02 0.00 3.29 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 0.00 276 N 8.34 5.01 0.00 2.74 2.82 0.00 0.00 6.97 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 0.00 277 P 0.00 4.43 0.00 2.22 2.08 0.00 3.98 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 278 A 8.61 3.71 0.43 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 0.00 279 F 7.40 5.74 0.00 2.90 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 0.00 280 D 9.03 4.96 0.00 2.76 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 0.00 281 V 8.32 4.40 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 0.99 0.00 0.00 282 T 8.70 4.45 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 1.26 0.00 0.00 283 P 0.00 4.37 0.00 1.20 1.58 0.00 3.49 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 284 P 0.00 4.23 0.00 2.16 2.20 0.00 3.49 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 2.11 2.16 0.00 285 E 7.95 4.06 0.00 2.14 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 1.68 2.10 0.00 286 Y 7.73 4.72 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 287 V 7.55 4.28 2.12 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 0.69 0.00 0.00 0.89 0.00 0.00 288 D 8.21 4.29 0.00 1.58 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 0.00 289 V 7.04 4.55 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 0.81 0.00 0.00 0.89 0.00 0.00 290 I 9.02 4.87 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 1.03 0.00 0.00 291 I 9.23 4.61 1.91 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 1.35 0.96 1.07 0.00 0.00 292 T 8.04 5.48 4.17 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 1.29 0.00 0.00 293 E 8.81 4.15 0.00 1.98 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 2.26 2.33 0.00 294 R 8.36 4.32 0.00 1.62 1.87 0.00 3.09 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 295 G 6.06 2.90 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 0.00 296 I 7.41 4.68 1.85 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.56 0.97 0.00 0.00 297 I 8.52 4.79 1.75 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 1.23 0.90 0.77 0.00 0.00 298 P 0.00 4.49 0.00 0.80 1.88 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 299 P 0.00 4.15 0.00 2.16 2.25 0.00 3.31 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 2.36 1.97 0.00 300 Y 7.40 4.31 0.00 3.05 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 0.00 301 A 8.05 4.69 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 0.00 302 A 8.05 4.18 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 303 I 7.84 3.74 1.95 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.62 1.02 0.00 0.00 304 D 8.17 4.43 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 305 I 7.41 3.51 1.52 0.00 0.00 0.00 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 0.53 0.27 0.00 0.00 306 L 7.90 4.17 0.00 1.95 1.79 0.49 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 307 R 7.99 4.33 0.00 2.15 2.15 0.00 3.15 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 308 E 8.42 3.95 0.00 1.99 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 2.31 2.37 0.00 309 E 8.09 4.03 0.00 1.16 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 2.06 2.11 0.00 310 F 7.42 5.06 0.00 3.20 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 0.00 311 G 7.94 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 312 W 8.14 4.33 0.00 3.47 3.17 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 0.00 313 A 5.80 3.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 314 L 7.18 3.85 0.00 1.53 1.63 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 315 K 7.33 3.91 0.00 1.79 1.80 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.18 1.37 7.81 316 Y 6.90 3.56 0.00 3.26 2.90 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 0.00 317 T 7.09 4.39 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 318 E 8.30 3.58 0.00 1.25 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 1.47 1.47 0.00 319 P 0.00 4.39 0.00 2.27 2.39 0.00 2.96 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 320 W 7.26 4.52 0.00 3.32 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 0.00 321 E 7.76 4.71 0.00 1.81 1.78 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 1.50 2.04 0.00 322 D 8.33 4.22 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.