NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2863 8.2993 120.1175 55.6146 33.6587 175.3221 7 P 4.5965 0.0000 0.0000 62.3454 33.2967 173.2115 8 I 4.8405 9.1101 121.5329 59.5490 40.9278 175.9682 9 E 4.7825 9.1761 126.4307 54.3487 32.1760 174.4979 10 I 4.5629 8.7645 129.4946 61.1657 38.7992 175.4726 11 I 4.7312 9.0195 127.3786 59.4954 41.0800 174.4477 12 G 4.8178 9.1229 114.5244 44.2913 0.0000 172.7975 13 A 5.7112 8.7329 127.2168 49.0818 18.7283 173.9224 14 P 5.0012 0.0000 0.0000 61.7558 29.2627 176.3298 15 F 5.0389 8.1298 126.1570 57.2562 42.9194 175.1701 16 S 4.6284 7.0310 116.1390 56.7791 64.5956 175.2643 17 K 3.9011 6.0761 119.1121 57.8469 31.7029 177.5122 18 G 4.3354 8.0060 107.6010 45.5237 0.0000 173.2070 19 Q 4.5822 7.6375 116.5380 53.6357 30.8867 171.6963 20 P 3.9649 0.0000 0.0000 66.4888 31.4828 176.1372 21 R 4.1383 7.5819 117.7903 54.4183 30.8715 177.0506 22 G 3.8402 8.3646 109.9150 44.7715 0.0000 171.6586 23 G 3.4972 8.9420 111.5570 46.0293 0.0000 176.4085 24 V 3.6054 7.8860 120.8971 65.6485 31.0964 177.4273 25 E 4.0985 8.1375 115.4541 58.2477 29.8130 178.0075 26 K 4.4254 8.3490 119.3894 56.7360 32.4360 178.4162 27 G 3.8010 7.9955 107.7324 47.6126 0.0000 173.9589 28 P 4.2651 0.0000 0.0000 65.0693 31.0258 178.3219 29 A 3.9472 7.9759 120.0949 54.9419 18.5317 179.1865 30 A 3.9458 7.9835 119.3252 55.4012 18.3610 179.8946 31 L 3.9646 8.1507 117.6181 57.9806 41.6612 180.0592 32 R 3.9286 8.0376 118.0876 59.1417 29.8340 179.0474 33 K 4.0028 8.3460 118.3330 58.8339 32.1299 177.5712 34 A 4.5043 7.5817 119.4210 51.4176 18.8972 177.0146 35 G 3.7722 8.2784 107.0737 47.3584 0.0000 176.7615 36 L 3.8757 7.5851 121.7537 57.9116 42.1586 178.0177 37 V 3.5556 7.7483 117.3349 66.0797 30.9655 177.7542 38 E 3.9156 8.1122 117.5182 59.6130 28.9494 179.3938 39 K 4.0433 8.0877 118.2679 59.3604 32.0533 179.4608 40 L 3.9921 8.1347 119.4625 57.7818 41.3308 179.3851 41 K 3.9130 7.7427 117.1293 59.7163 32.1089 178.4234 42 E 4.2430 7.7520 115.2934 57.7241 29.6696 176.8573 43 T 4.5411 7.7370 110.3618 60.2399 71.0289 173.6681 44 E 4.5057 8.6312 117.3177 57.2002 30.1333 175.8374 45 Y 4.6697 7.4151 115.0321 57.2345 42.0741 175.0256 46 N 4.6975 8.6553 120.8721 52.9474 40.1488 174.0458 47 V 4.7306 8.3698 122.9263 60.9933 34.2856 174.4672 48 R 4.5144 8.7253 127.3934 54.5925 33.0224 173.2995 49 D 4.9555 8.6228 126.4193 53.0276 41.6298 176.0375 50 H 3.8068 9.1678 127.9317 57.6909 30.6842 175.7901 51 G 3.8605 7.9286 104.9434 44.7679 0.0000 170.9807 52 D 5.3034 8.1537 117.3220 52.5631 42.5898 176.8860 53 L 4.2206 8.4159 123.2340 54.7316 42.5490 176.5137 54 A 4.3743 8.0274 123.8630 50.5549 20.0021 176.5002 55 F 4.7529 8.6033 121.7269 56.1678 40.7583 175.8109 56 V 4.3213 8.2028 124.1653 59.8514 33.0404 174.9037 57 D 4.5360 8.5851 123.2075 53.3942 41.4864 175.7465 58 V 3.8174 7.8862 127.4828 61.5617 31.7476 174.0524 59 P 4.3307 0.0000 0.0000 63.8645 31.9097 175.1847 60 N 4.1210 8.7152 116.4633 54.7883 37.3793 175.7940 61 D 4.7042 7.8665 115.8049 53.3523 39.3152 174.1786 62 S 4.1881 8.0990 118.0547 57.3423 63.6807 172.5889 63 P 4.3594 0.0000 0.0000 62.6174 31.2778 176.6241 64 F 4.4591 8.8348 126.5055 58.6106 39.0184 177.0464 65 Q 3.4745 8.7662 129.8922 55.9695 26.9270 174.2312 66 I 4.2145 8.3611 127.4718 61.9924 40.9910 174.8398 67 V 4.2474 7.8421 121.3505 62.8348 31.8106 174.8651 68 K 4.7678 8.1870 126.6454 55.8434 34.3847 175.5888 69 N 4.4106 8.7986 116.2135 53.5325 36.4348 174.8546 70 P 4.4734 0.0000 0.0000 66.2762 31.7203 178.3911 71 R 3.8490 8.2441 115.9878 59.1162 29.9885 179.4371 72 S 4.1164 8.4278 115.1937 61.7066 62.8987 176.8455 73 V 3.8817 7.8937 120.6397 65.7821 31.2430 178.3587 74 G 2.7833 7.9023 105.7187 47.1794 0.0000 175.5228 75 K 3.7342 8.0129 122.2640 59.0695 32.2682 178.4292 76 A 3.9238 8.0276 121.2203 55.4607 18.0154 179.4164 77 N 4.3383 8.1891 114.9218 56.2094 38.7210 177.3512 78 E 2.0000 7.8716 120.7315 58.6549 29.6408 178.5829 79 Q 3.7941 7.7353 119.5121 58.9750 29.0453 178.1255 80 L 3.8960 7.9714 121.0009 58.1910 42.1755 178.5897 81 A 4.2075 8.1246 120.7331 55.1967 18.1899 179.4896 82 A 3.8386 7.6899 118.5772 55.3263 18.5205 179.9772 83 V 3.4878 7.4805 116.1630 66.0777 31.4995 178.0974 84 V 3.5178 8.2291 118.0423 66.2127 31.3419 177.6130 85 A 4.1935 8.1517 121.6616 54.4601 18.1555 179.1763 86 E 3.8696 8.3149 117.7986 59.7798 29.7371 179.2858 87 T 3.9538 7.9308 109.8327 64.8455 68.7551 176.4970 88 Q 4.2085 8.4517 121.2267 58.6902 28.5337 178.5611 89 K 3.9295 8.1893 119.9965 59.5079 32.2213 177.6278 90 N 4.7769 7.7088 113.4148 52.7976 38.4964 175.0991 91 G 3.8785 8.3243 108.6962 46.9901 0.0000 173.8134 92 T 4.8462 7.5549 107.9327 59.5065 72.0241 173.2569 93 I 4.5922 8.6301 124.0783 60.2229 38.9226 175.2264 94 S 4.9594 8.3554 121.0463 57.5498 65.1550 173.6131 95 V 4.6883 8.6296 122.4587 61.2282 33.9028 173.9820 96 V 4.5612 8.8607 129.0200 61.9824 33.4429 174.8173 97 L 5.0395 8.7731 127.6632 52.9543 43.6104 176.5854 98 G 4.0617 8.6489 112.5248 45.5847 0.0000 172.3485 99 G 4.7272 8.9609 104.8595 45.4689 0.0000 173.0755 100 D 5.0767 8.4117 122.6405 52.4515 40.9298 177.6549 *101 N 4.4098 9.0191 117.1173 55.2674 37.9699 177.3788 102 S 4.3327 8.7389 111.6749 62.5275 62.8922 176.0900 103 M 4.4546 8.1698 120.6088 56.7016 31.7084 178.0419 104 A 4.2837 8.4592 122.2125 54.5721 18.5353 179.8707 105 I 3.8525 8.2195 119.2106 64.5487 37.2278 178.4405 106 G 3.8755 8.9930 106.8620 48.0783 0.0000 175.1210 107 S 4.2151 7.9807 115.9458 61.1951 62.3095 176.5388 108 I 3.6717 7.9051 122.0437 64.4563 36.8693 178.4200 109 S 4.3215 8.4796 116.1724 61.8064 62.9094 176.7943 110 G 3.8839 8.4284 108.1903 48.4643 0.0000 174.9272 111 H 4.4463 8.3999 120.1143 59.0655 29.5039 177.2589 112 A 4.1974 8.3902 122.9243 55.2154 17.9703 179.6127 113 R 3.6703 7.9416 115.8769 58.9412 30.1499 177.8779 114 V 4.1054 7.2760 116.3336 63.8583 33.0116 175.5359 115 H 4.8732 7.9543 116.8125 52.7790 28.9307 171.9512 116 P 4.4739 0.0000 0.0000 64.3342 31.5986 177.6156 117 D 4.7960 7.8413 117.8126 52.8542 39.6137 176.1045 118 L 4.6077 7.5601 120.2312 56.4729 41.3453 175.9048 119 C 5.0754 9.0106 113.9512 56.4391 33.3080 172.8416 120 V 4.9024 8.6986 120.9367 61.4893 33.5918 174.3167 121 I 4.6602 8.6017 129.4528 59.8530 39.0150 174.7636 122 W 4.9313 9.1961 135.0000 55.7360 31.2358 174.0221 123 V 4.3387 7.9321 126.5806 62.3641 31.7509 174.0675 124 D 4.7670 8.7491 125.8239 53.8775 44.8475 175.1767 125 A 5.3200 8.6828 122.1428 51.9254 19.8746 176.7666 126 H 5.1923 8.7438 111.9914 53.8888 32.7365 173.7645 127 T 3.4251 8.4381 111.3944 62.4350 69.1814 174.6167 128 D 4.5218 8.0098 120.3927 55.6935 38.4048 173.8003 129 I 4.2154 8.0538 114.6375 60.6329 38.6770 174.8834 130 N 4.5041 8.0610 116.2263 52.5672 39.3142 174.9758 131 T 4.0491 8.3821 111.9478 58.8195 70.9939 173.8099 132 P 4.3100 0.0000 0.0000 65.3562 31.4352 177.9649 133 L 4.2353 7.4128 117.1708 56.7101 41.8636 177.8421 134 T 4.2706 7.5033 106.6085 62.0983 69.7070 175.1812 135 T 3.8663 7.6631 113.6803 62.1066 68.8805 174.2710 136 S 4.3874 8.6276 119.4440 59.3415 63.2090 173.8435 137 S 4.6259 7.6669 114.3412 57.0299 65.5240 174.9940 138 G 4.3361 8.7449 111.6003 46.2721 0.0000 172.3708 139 N 4.3491 7.9660 118.4283 53.8457 38.6600 175.6067 140 L 4.3713 8.6245 122.9050 56.1473 41.9558 178.3230 141 H 4.6011 8.5602 114.7542 57.1589 29.0130 176.2301 142 G 4.0331 8.0384 108.3567 45.5464 0.0000 174.5573 143 Q 4.8936 8.1561 117.1476 53.1951 30.7182 175.4145 144 P 4.3199 0.0000 0.0000 66.4957 30.7963 178.4225 145 V 3.5002 7.4514 117.3764 64.8565 31.0670 177.7423 146 A 3.8922 7.8336 120.0833 54.6440 18.2081 178.8891 147 F 4.3544 7.9993 114.3183 58.9291 39.4891 176.4386 148 L 4.5041 7.5429 117.9773 55.2077 42.9122 176.5766 149 L 4.6617 7.6877 119.6937 54.1935 42.4192 178.0613 150 K 3.9999 9.1378 124.0992 59.5724 32.1371 179.0901 151 E 4.0808 8.1753 116.2403 58.1936 29.6460 177.2766 152 L 4.5773 7.6028 118.1650 53.9043 42.2607 175.7995 153 K 3.8705 7.8486 121.8727 57.6645 32.0892 177.1105 154 G 3.7348 8.3728 113.9663 45.7764 0.0000 173.6906 155 K 4.3027 7.5539 117.9474 56.7934 32.5453 176.7403 156 F 4.9364 6.9075 112.7501 54.2650 40.4178 172.1743 157 P 4.4268 0.0000 0.0000 62.9423 31.5009 175.4081 158 D 4.4627 8.4890 119.0908 54.0253 41.5982 176.1554 159 V 3.1740 8.2200 123.5011 59.9466 32.8948 172.7786 160 P 4.3004 0.0000 0.0000 65.3916 31.2328 175.8224 161 G 3.9232 8.9040 111.6209 45.5855 0.0000 173.8626 162 F 4.3935 8.3068 117.7971 56.9746 39.1518 177.6507 163 S 4.1267 8.2142 118.0811 60.9874 62.6109 175.7307 164 W 4.3665 7.9983 116.8456 58.4204 28.4434 176.8262 165 V 3.3069 6.6438 119.7561 62.4940 31.3145 175.3699 166 T 4.4077 8.0470 115.7091 59.2512 70.6181 171.4633 167 P 4.1979 0.0000 0.0000 62.7476 31.2179 175.5120 168 C 4.8885 8.7364 117.4576 57.9200 31.0320 173.6492 169 I 4.8733 8.0519 113.5775 59.2835 41.0028 174.4960 170 S 5.2277 8.2980 117.2853 56.3119 65.7968 174.7521 171 A 3.9364 8.9001 123.8249 55.5404 18.1473 179.4169 172 K 4.5230 7.4534 112.9045 56.8106 32.0410 176.4884 173 D 5.0275 8.7495 115.8692 53.9749 43.0432 174.8049 174 I 5.0315 7.6916 117.9131 59.0793 41.0662 174.8263 175 V 5.1141 8.6261 127.6115 60.3652 34.4982 173.8963 176 Y 5.2405 8.7731 125.4544 57.5876 40.0079 174.6220 177 I 4.9517 9.0720 123.1959 60.7897 41.5323 176.1557 178 G 4.1917 9.4173 115.5722 45.3656 0.0000 172.8457 179 L 4.3308 7.9465 119.9652 54.9380 41.9929 178.3502 180 R 4.4279 8.4657 116.0271 57.3191 32.2496 175.5892 181 D 4.6160 7.6145 117.7888 52.9826 41.7025 172.9005 182 V 4.2850 7.4069 120.1169 60.3832 34.0286 175.6804 183 D 4.5873 8.5953 126.8165 53.2494 42.7491 175.7189 184 P 4.3289 0.0000 0.0000 65.8429 31.3268 179.2283 185 G 3.6447 8.0210 103.6838 48.0768 0.0000 175.3962 186 E 3.9117 8.1280 121.1223 59.2156 29.4929 178.8663 187 H 4.0259 8.5039 118.7078 59.0540 29.8016 176.7575 188 Y 4.1344 8.1497 121.7068 60.5473 38.5447 178.0002 189 I 3.4398 7.9385 121.0555 64.3567 37.3080 178.5353 190 I 3.6436 7.7351 113.9857 63.7361 37.3309 178.4866 191 K 3.8714 7.7314 120.0728 59.6298 31.7578 179.4089 192 T 3.6983 7.5356 114.7330 66.6513 68.3185 175.8593 193 L 4.0366 7.8839 118.9303 55.1204 41.8733 176.9850 194 G 3.8633 7.5508 106.1835 46.5351 0.0000 174.0889 195 I 4.0895 7.6479 119.8298 60.5706 38.4252 176.3558 196 K 4.0712 8.5606 127.7830 56.0345 33.1288 175.0443 197 Y 5.2976 7.3886 123.9783 55.6868 41.6690 174.9641 198 F 4.7580 9.5075 119.5355 55.7349 41.6277 175.2443 199 S 5.0639 9.1029 119.3573 57.1604 64.6360 175.5189 200 M 4.1199 8.6591 119.8645 58.9463 31.3254 179.2652 201 T 3.9418 7.6006 109.5892 64.8340 68.8328 176.5969 202 E 4.0208 8.1991 121.0230 59.0600 29.5470 179.2198 203 V 3.5816 7.9674 118.5110 65.9960 31.3600 177.8808 204 D 4.3450 8.2712 118.1960 57.2634 40.7510 178.3939 205 K 4.0992 8.2186 119.2597 58.8750 32.3216 178.0324 206 L 4.4310 8.3098 117.5241 53.1836 43.3650 177.4880 207 G 3.9950 8.1026 106.2692 45.7926 0.0000 174.1170 208 I 3.6214 8.2880 121.1177 63.8470 37.6988 178.4003 209 G 3.4423 7.6643 105.9864 47.7850 0.0000 175.4228 210 K 3.9086 7.8456 122.3908 58.5561 32.1361 178.8164 211 V 2.7241 7.3097 118.1222 66.1178 31.4454 178.0211 212 M 3.5780 7.6403 119.5763 57.4944 31.5480 178.3347 213 E 3.9139 8.0644 119.5140 59.2741 29.7785 178.6017 214 E 4.3054 8.4398 119.8317 58.1776 29.2770 178.9618 215 T 4.1151 7.9061 110.2792 64.8514 68.6682 176.5935 216 F 4.6707 8.0419 120.7763 60.5856 38.7839 177.9297 217 S 4.2671 8.1352 113.7920 61.3779 62.5179 175.9791 218 Y 4.1608 8.2681 123.4318 60.5592 38.4122 177.5300 219 L 4.0258 8.2868 118.6249 57.3690 42.0754 178.7688 220 L 4.6696 8.2703 116.8692 54.6933 41.3687 178.8035 221 G 3.7266 7.5005 107.3531 48.1857 0.0000 175.9355 222 R 4.1303 7.8449 120.3891 57.0530 30.9276 177.5012 223 K 4.5498 7.5809 114.7139 54.5043 35.0962 175.6591 224 K 4.1252 8.6712 122.9519 55.9879 32.3252 176.3297 225 R 4.7389 8.0910 119.2234 52.9935 32.9379 173.0010 226 P 4.5189 0.0000 0.0000 63.0213 32.5934 175.4561 227 I 4.8033 8.7172 124.5838 59.8981 39.8121 174.0435 228 H 5.0982 9.4292 127.6299 54.4419 32.0336 172.7171 229 L 4.6571 8.7711 130.1006 54.0538 43.4809 175.1900 230 S 4.8021 8.7926 122.9614 56.7952 64.0391 172.5911 231 F 4.4543 9.0679 131.4541 56.4416 41.2226 173.5547 232 D 4.8987 8.4234 127.7198 52.8396 41.9130 177.3403 233 V 3.7391 8.5981 126.5959 66.1869 31.6449 177.0241 234 D 4.8012 8.4677 116.2463 53.9820 39.2126 177.3860 235 G 3.7086 8.5801 111.0513 47.7927 0.0000 174.3019 236 L 4.9381 7.4938 118.8853 53.0998 43.3550 175.9978 237 D 4.5760 9.1734 120.6461 53.7571 41.6241 175.7454 238 P 4.6022 0.0000 0.0000 65.2269 31.4384 177.8895 239 V 3.6740 7.3465 116.4478 62.9512 31.7538 176.7137 240 F 4.9154 8.4132 119.0803 58.7606 40.8697 176.2104 241 T 4.7947 7.6387 107.6154 59.3546 68.1422 171.7389 242 P 4.2760 0.0000 0.0000 66.1340 32.3563 177.7033 243 A 4.3373 7.9041 123.2165 50.8701 16.7633 175.9055 244 T 5.1017 7.6164 110.3350 60.5004 72.0217 175.1367 245 G 3.7918 8.6680 110.5576 48.2466 0.0000 174.3772 246 T 4.6142 7.4238 115.6952 60.6110 68.9498 171.0377 247 P 4.5610 0.0000 0.0000 62.1123 32.7358 177.0193 248 V 4.4213 7.9916 119.4437 60.9299 34.3255 175.7588 249 V 3.7966 8.2669 119.9587 62.5452 32.0482 175.6691 250 G 3.7960 8.9572 108.3764 46.5243 0.0000 174.2338 251 G 4.1134 8.2948 108.4127 44.7571 0.0000 174.3157 252 L 4.6785 8.4428 119.4964 54.8174 42.9583 177.5727 253 S 4.8880 8.9863 116.8899 57.5182 65.0258 174.5496 254 Y 3.6080 6.9768 120.4562 60.6977 38.1607 178.4971 255 R 3.8893 7.8050 118.3195 59.4102 30.3501 178.6736 256 E 4.0730 8.0418 118.0307 59.3458 29.0699 179.6705 257 G 3.6724 8.4120 106.1809 47.9134 0.0000 175.7434 258 L 4.0628 7.6808 122.6371 56.5995 41.6004 178.8454 259 Y 3.8619 8.1875 120.0109 60.6841 38.7351 177.8845 260 I 3.6617 7.9395 120.9580 64.7807 37.1635 178.3485 261 T 3.8974 7.7382 109.9615 65.1509 68.2422 176.1275 262 E 3.9046 8.2980 121.3395 59.1799 29.2700 179.0758 263 E 4.0587 8.0412 118.6001 58.9713 29.2944 179.3581 264 I 3.8702 7.6483 119.5384 64.5320 37.4959 177.3723 265 Y 4.1337 8.0498 120.3694 60.5020 38.3577 177.9877 266 K 3.7942 7.6936 118.7260 59.9697 32.3265 178.9738 267 T 3.8355 7.3242 108.3857 62.5943 68.4038 174.9833 268 G 3.7352 7.5588 107.9526 46.3150 0.0000 173.5896 269 L 4.6642 7.3301 117.0079 53.7962 43.3788 175.8707 270 L 4.2473 7.9793 122.3897 55.4800 41.8046 176.3462 271 S 4.7250 9.4439 120.4397 58.7144 65.6192 173.7649 272 G 4.3030 7.8076 105.3742 44.5732 0.0000 171.6273 273 L 5.2650 9.1274 125.4309 53.0678 45.7891 174.6601 274 D 5.2909 9.0089 125.3682 52.7122 44.1720 175.0248 275 I 4.6514 8.7125 125.2399 60.1203 38.6740 174.7826 276 M 4.6971 8.8177 126.9276 53.6760 35.4221 176.6784 277 E 3.7272 8.9913 116.5610 56.9928 27.8837 175.5859 278 V 3.6440 7.6802 118.7315 62.7350 30.8210 174.9719 279 N 4.7688 8.4444 127.3449 50.9566 38.4051 173.6028 280 P 4.3622 0.0000 0.0000 65.0538 31.5895 177.8312 281 T 4.2570 8.0072 106.6467 62.3767 69.2265 175.4149 282 L 4.3092 7.6832 121.1503 55.0809 42.1681 177.1125 283 G 3.7172 7.8368 109.1775 44.9189 0.0000 173.7683 284 K 4.0650 9.1692 127.2221 58.9308 32.6894 176.7155 285 T 4.7893 7.4150 106.4850 58.1242 72.2014 172.5735 286 P 4.2481 0.0000 0.0000 65.8933 31.1558 178.5096 287 E 3.9292 8.1538 117.5070 59.3610 29.6391 178.5063 288 E 3.9759 8.0617 118.1796 59.3192 29.4270 179.6521 289 V 3.5657 7.6723 117.7016 66.3418 31.7125 177.8519 290 T 3.8759 8.0161 115.5994 66.7175 68.2979 176.3919 291 R 3.8918 8.3463 120.6745 59.7634 30.2781 178.5224 292 T 3.8973 7.8124 115.2487 66.7041 68.5386 176.5211 293 V 3.6004 8.1465 120.2535 66.3467 31.5461 177.7916 294 N 4.3591 8.3973 116.1810 56.6848 38.3638 177.3559 295 T 4.0215 8.2483 114.2472 64.9028 67.4142 176.1724 296 A 3.7846 7.9065 122.5645 55.0354 18.4463 179.5574 297 V 3.4831 7.8041 116.5544 66.1930 31.5183 178.0176 298 A 3.9526 8.0989 120.2772 55.1893 18.3044 179.5272 299 L 3.6623 7.8055 117.4222 58.0734 41.2234 179.9827 300 T 3.7084 7.8013 115.4565 66.7045 68.5881 176.7243 301 L 4.0207 7.9476 120.8367 57.7983 41.1087 179.5930 302 S 4.2808 7.9617 114.4130 61.0942 62.1007 175.9103 303 C 3.8843 7.4857 117.9668 61.7685 27.9793 175.0246 304 F 4.8255 7.0827 118.3771 57.4614 39.9002 176.3700 305 G 3.1842 6.7569 107.9307 45.6404 0.0000 175.1762 306 T 3.8837 7.7189 117.1945 63.4080 68.9373 173.5697 307 K 4.7651 8.0604 124.8827 54.3276 34.6944 177.8973 308 R 4.0383 8.5506 121.3425 58.8882 30.1169 178.1097 309 E 4.0170 8.0179 114.4118 56.7258 30.0889 176.7758 310 G 4.0148 7.5406 106.1996 44.8621 0.0000 172.1734 311 N 5.1302 7.9912 116.1214 51.3500 42.6144 173.4572 312 H 4.6185 8.0677 112.3291 55.2496 29.9505 174.5059 313 K 4.1789 8.7100 122.0900 55.7400 32.7967 175.5543 314 P 4.4193 0.0000 0.0000 63.2306 32.2552 177.5207 315 E 3.8884 8.6377 116.0066 57.2041 28.0582 174.7611 316 T 4.2246 7.4753 115.6613 62.0476 69.5953 173.5026 317 D 4.8295 8.3433 125.5579 53.0181 42.3287 175.5201 318 Y 4.1646 8.8369 126.2678 59.9291 38.9392 176.2009 *319 L 4.2047 7.7844 124.3682 54.3976 41.7276 181.2502 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 6 K 8.30 4.29 0.00 1.89 1.88 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.45 7.81 7 P 0.00 4.60 0.00 2.20 2.17 0.00 3.80 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 2.09 2.07 0.00 8 I 9.11 4.84 1.77 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.55 0.61 0.00 0.00 9 E 9.18 4.78 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 2.20 2.31 0.00 10 I 8.76 4.56 1.96 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 1.21 0.41 0.95 0.00 0.00 11 I 9.02 4.73 1.86 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 1.06 1.08 0.80 0.00 0.00 12 G 9.12 4.82 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 0.00 0.00 0.00 13 A 8.73 5.71 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 5.00 0.00 2.25 2.23 0.00 4.09 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 2.34 2.08 0.00 15 F 8.13 5.04 0.00 2.44 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 16 S 7.03 4.63 0.00 3.83 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 17 K 6.08 3.90 0.00 0.79 1.77 0.00 1.32 0.00 0.00 1.31 0.00 0.00 2.84 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.39 7.81 18 G 8.01 4.34 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 0.00 19 Q 7.64 4.58 0.00 1.99 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 20 P 0.00 3.96 0.00 2.17 2.10 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 21 R 7.58 4.14 0.00 1.91 1.95 0.00 3.06 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 22 G 8.36 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 23 G 8.94 3.50 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 0.00 24 V 7.89 3.61 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 1.13 0.00 0.00 0.91 0.00 0.00 25 E 8.14 4.10 0.00 2.34 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 2.31 2.38 0.00 26 K 8.35 4.43 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.53 7.81 27 G 8.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.27 0.00 2.31 2.56 0.00 3.76 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 29 A 7.98 3.95 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 30 A 7.98 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.15 3.96 0.00 1.71 1.73 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.04 3.93 0.00 2.10 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 33 K 8.35 4.00 0.00 1.87 2.01 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 34 A 7.58 4.50 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.28 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 36 L 7.59 3.88 0.00 1.87 1.67 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.75 3.56 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 1.00 0.00 0.00 0.92 0.00 0.00 38 E 8.11 3.92 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 39 K 8.09 4.04 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 40 L 8.13 3.99 0.00 1.91 1.65 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.74 3.91 0.00 2.01 1.90 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.67 7.81 42 E 7.75 4.24 0.00 2.10 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 2.36 2.32 0.00 43 T 7.74 4.54 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 44 E 8.63 4.51 0.00 2.06 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 2.41 2.55 0.00 45 Y 7.42 4.67 0.00 2.91 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 46 N 8.66 4.70 0.00 2.65 2.73 0.00 0.00 6.49 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 47 V 8.37 4.73 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 0.73 0.00 0.00 0.86 0.00 0.00 48 R 8.73 4.51 0.00 1.88 1.70 0.00 3.12 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 49 D 8.62 4.96 0.00 2.83 2.54 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 50 H 9.17 3.81 0.00 3.37 3.43 0.00 5.81 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 51 G 7.93 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 52 D 8.15 5.30 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 53 L 8.42 4.22 0.00 0.58 0.95 0.88 0.45 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 54 A 8.03 4.37 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 55 F 8.60 4.75 0.00 3.19 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.20 4.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.96 0.00 0.00 57 D 8.59 4.54 0.00 2.71 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 58 V 7.89 3.82 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 0.86 0.00 0.00 0.99 0.00 0.00 59 P 0.00 4.33 0.00 2.23 2.06 0.00 3.99 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 60 N 8.72 4.12 0.00 2.80 2.88 0.00 0.00 6.99 8.47 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 61 D 7.87 4.70 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.10 4.19 0.00 3.98 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 63 P 0.00 4.36 0.00 2.08 2.07 0.00 3.72 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 2.06 2.12 0.00 64 F 8.83 4.46 0.00 3.17 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 65 Q 8.77 3.47 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.66 0.00 0.00 0.00 0.00 0.00 1.86 1.24 0.00 66 I 8.36 4.21 1.85 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 1.39 1.45 0.93 0.00 0.00 67 V 7.84 4.25 2.50 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 1.16 0.00 0.00 1.11 0.00 0.00 68 K 8.19 4.77 0.00 1.76 1.74 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.63 7.81 69 N 8.80 4.41 0.00 2.92 2.91 0.00 0.00 6.97 8.03 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 70 P 0.00 4.47 0.00 2.26 2.30 0.00 3.93 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 2.40 2.40 0.00 71 R 8.24 3.85 0.00 1.96 1.97 0.00 3.25 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 72 S 8.43 4.12 0.00 4.05 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 73 V 7.89 3.88 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 1.29 0.00 0.00 74 G 7.90 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 0.00 0.00 0.00 75 K 8.01 3.73 0.00 2.03 1.90 0.00 1.46 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.44 7.81 76 A 8.03 3.92 0.08 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 77 N 8.19 4.34 0.00 3.18 3.43 0.00 0.00 6.73 8.19 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 78 E 7.87 2.00 0.00 1.16 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 1.70 1.47 0.00 79 Q 7.74 3.79 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 80 L 7.97 3.90 0.00 2.00 1.83 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.12 4.21 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 82 A 7.69 3.84 1.27 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 0.00 0.00 83 V 7.48 3.49 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 0.82 0.00 0.00 0.89 0.00 0.00 84 V 8.23 3.52 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.03 0.00 0.00 85 A 8.15 4.19 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 86 E 8.31 3.87 0.00 2.19 2.18 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 2.31 2.37 0.00 87 T 7.93 3.95 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 1.30 0.00 0.00 88 Q 8.45 4.21 0.00 2.38 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 89 K 8.19 3.93 0.00 1.94 2.11 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 90 N 7.71 4.78 0.00 2.88 2.84 0.00 0.00 7.07 8.44 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 91 G 8.32 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.55 4.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 93 I 8.63 4.59 1.94 0.00 0.00 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 1.39 0.72 1.10 0.00 0.00 94 S 8.36 4.96 0.00 3.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.63 4.69 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.04 0.00 0.00 96 V 8.86 4.56 2.37 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 0.96 0.00 0.00 0.98 0.00 0.00 97 L 8.77 5.04 0.00 1.66 1.60 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.65 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.96 4.73 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 0.00 0.00 0.00 100 D 8.41 5.08 0.00 3.15 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 *101 N 9.02 4.41 0.00 2.69 2.90 0.00 0.00 7.18 7.57 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 0.00 102 S 8.74 4.33 0.00 4.20 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 M 8.17 4.45 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.88 0.00 104 A 8.46 4.28 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.22 3.85 2.23 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.88 0.96 0.00 0.00 106 G 8.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.98 4.22 0.00 3.99 4.08 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 0.00 108 I 7.91 3.67 2.02 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 0.94 0.00 0.00 109 S 8.48 4.32 0.00 4.31 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 0.00 110 G 8.43 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.40 4.45 0.00 3.49 3.58 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.39 4.20 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.94 3.67 0.00 2.02 2.07 0.00 3.21 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 114 V 7.28 4.11 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 0.70 0.00 0.00 1.03 0.00 0.00 115 H 7.95 4.87 0.00 3.19 3.14 0.00 5.87 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 0.00 116 P 0.00 4.47 0.00 2.18 2.19 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 117 D 7.84 4.80 0.00 2.79 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 0.00 118 L 7.56 4.61 0.00 1.81 1.67 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 119 C 9.01 5.08 0.00 3.13 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.70 4.90 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 1.30 0.00 0.00 1.02 0.00 0.00 121 I 8.60 4.66 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.98 0.00 0.00 122 W 9.20 4.93 0.00 3.25 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 0.00 123 V 7.93 4.34 0.80 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 0.16 0.00 0.00 0.62 0.00 0.00 124 D 8.75 4.77 0.00 2.69 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 0.00 125 A 8.68 5.32 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 0.00 126 H 8.74 5.19 0.00 3.31 3.19 0.00 5.85 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 0.00 127 T 8.44 3.43 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 0.42 0.00 0.00 128 D 8.01 4.52 0.00 3.03 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 0.00 129 I 8.05 4.22 1.78 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 1.20 0.77 0.79 0.00 0.00 130 N 8.06 4.50 0.00 2.97 2.65 0.00 0.00 6.69 6.56 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 0.00 131 T 8.38 4.05 3.37 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 0.91 0.00 0.00 132 P 0.00 4.31 0.00 2.13 2.32 0.00 2.70 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 133 L 7.41 4.24 0.00 1.64 1.72 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.50 4.27 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 135 T 7.66 3.87 4.35 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 1.22 0.00 0.00 136 S 8.63 4.39 0.00 3.84 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 0.00 137 S 7.67 4.63 0.00 4.00 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 0.00 138 G 8.74 4.34 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 0.00 139 N 7.97 4.35 0.00 2.79 2.90 0.00 0.00 6.94 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.62 4.37 0.00 1.81 1.77 1.20 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 141 H 8.56 4.60 0.00 3.31 3.72 0.00 5.56 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 0.00 142 G 8.04 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 0.00 143 Q 8.16 4.89 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 144 P 0.00 4.32 0.00 2.54 2.69 0.00 3.78 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 145 V 7.45 3.50 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.11 0.00 0.00 146 A 7.83 3.89 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 0.00 147 F 8.00 4.35 0.00 3.02 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 0.00 148 L 7.54 4.50 0.00 1.67 1.72 1.01 0.61 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 0.00 149 L 7.69 4.66 0.00 1.70 1.58 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 150 K 9.14 4.00 0.00 1.78 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.52 7.81 151 E 8.18 4.08 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 152 L 7.60 4.58 0.00 1.71 1.80 0.91 0.91 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 0.00 153 K 7.85 3.87 0.00 1.71 1.70 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.33 7.81 154 G 8.37 3.73 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 0.00 0.00 0.00 155 K 7.55 4.30 0.00 2.06 1.96 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.53 7.81 156 F 6.91 4.94 0.00 3.04 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.43 0.00 2.55 2.27 0.00 3.96 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 2.28 2.13 0.00 158 D 8.49 4.46 0.00 2.67 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 0.00 159 V 8.22 3.17 2.40 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 1.24 0.00 0.00 1.19 0.00 0.00 160 P 0.00 4.30 0.00 2.05 2.00 0.00 3.10 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 161 G 8.90 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 0.00 162 F 8.31 4.39 0.00 3.12 2.84 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 0.00 163 S 8.21 4.13 0.00 4.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 W 8.00 4.37 0.00 3.59 3.26 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 0.00 165 V 6.64 3.31 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.55 0.00 0.00 166 T 8.05 4.41 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 1.22 0.00 0.00 167 P 0.00 4.20 0.00 2.04 2.22 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 168 C 8.74 4.89 0.00 2.98 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 0.00 169 I 8.05 4.87 1.88 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 1.39 1.27 0.93 0.00 0.00 170 S 8.30 5.23 0.00 4.26 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.90 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 7.45 4.52 0.00 1.55 1.80 0.00 1.57 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.25 7.81 173 D 8.75 5.03 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 I 7.69 5.03 1.79 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.90 0.83 0.00 0.00 175 V 8.63 5.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 1.08 0.00 0.00 176 Y 8.77 5.24 0.00 3.11 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 0.00 177 I 9.07 4.95 1.90 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 1.27 0.89 0.92 0.00 0.00 178 G 9.42 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 0.00 0.00 0.00 0.00 179 L 7.95 4.33 0.00 1.71 1.50 0.72 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 180 R 8.47 4.43 0.00 1.87 1.95 0.00 3.18 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 181 D 7.61 4.62 0.00 2.45 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 0.00 182 V 7.41 4.28 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 0.77 0.00 0.00 0.74 0.00 0.00 183 D 8.60 4.59 0.00 2.85 2.54 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 0.00 184 P 0.00 4.33 0.00 2.13 2.09 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 185 G 8.02 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.13 3.91 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 187 H 8.50 4.03 0.00 3.08 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 8.15 4.13 0.00 3.04 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 0.00 189 I 7.94 3.44 1.93 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 1.55 0.68 0.82 0.00 0.00 190 I 7.74 3.64 1.75 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.48 0.78 0.00 0.00 191 K 7.73 3.87 0.00 1.93 1.80 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.16 1.45 7.81 192 T 7.54 3.70 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 0.99 0.00 0.00 193 L 7.88 4.04 0.00 1.72 1.68 0.87 0.96 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 0.00 194 G 7.55 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 0.00 195 I 7.65 4.09 1.97 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 1.31 0.60 1.09 0.00 0.00 196 K 8.56 4.07 0.00 1.07 1.12 0.00 0.97 0.00 0.00 1.33 0.00 0.00 2.27 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.43 0.77 7.81 197 Y 7.39 5.30 0.00 2.99 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 0.00 198 F 9.51 4.76 0.00 3.09 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 0.00 199 S 9.10 5.06 0.00 4.26 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 0.00 200 M 8.66 4.12 0.00 2.10 2.20 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 2.83 2.74 0.00 201 T 7.60 3.94 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 1.24 0.00 0.00 202 E 8.20 4.02 0.00 2.42 2.31 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 2.32 2.44 0.00 203 V 7.97 3.58 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 1.09 0.00 0.00 1.00 0.00 0.00 204 D 8.27 4.35 0.00 2.85 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 0.00 205 K 8.22 4.10 0.00 1.85 1.98 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 206 L 8.31 4.43 0.00 1.59 1.66 1.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 207 G 8.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 I 8.29 3.62 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.21 0.42 0.00 0.00 209 G 7.66 3.44 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 0.00 210 K 7.85 3.91 0.00 1.88 1.74 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.53 7.81 211 V 7.31 2.72 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 0.34 0.00 0.00 0.66 0.00 0.00 212 M 7.64 3.58 0.00 1.58 2.01 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.70 0.00 213 E 8.06 3.91 0.00 2.17 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 2.34 2.40 0.00 214 E 8.44 4.31 0.00 2.21 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 0.00 2.39 2.20 0.00 215 T 7.91 4.12 4.34 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 1.12 0.00 0.00 216 F 8.04 4.67 0.00 3.30 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 0.00 217 S 8.14 4.27 0.00 4.08 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 0.00 218 Y 8.27 4.16 0.00 3.20 3.35 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 0.00 219 L 8.29 4.03 0.00 1.92 1.79 1.13 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 220 L 8.27 4.67 0.00 1.63 1.62 0.54 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 221 G 7.50 3.73 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 0.00 0.00 0.00 222 R 7.84 4.13 0.00 1.78 1.97 0.00 3.14 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 223 K 7.58 4.55 0.00 1.78 1.72 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.34 7.81 224 K 8.67 4.13 0.00 1.74 1.75 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.39 7.81 225 R 8.09 4.74 0.00 1.96 1.86 0.00 3.37 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 226 P 0.00 4.52 0.00 2.07 1.96 0.00 3.56 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 2.09 2.08 0.00 227 I 8.72 4.80 1.97 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 1.13 0.73 0.99 0.00 0.00 228 H 9.43 5.10 0.00 3.42 3.41 0.00 5.76 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 L 8.77 4.66 0.00 1.83 1.53 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 230 S 8.79 4.80 0.00 4.01 3.03 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 0.00 231 F 9.07 4.45 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 D 8.42 4.90 0.00 2.63 2.57 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 0.00 233 V 8.60 3.74 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 0.99 0.00 0.00 0.94 0.00 0.00 234 D 8.47 4.80 0.00 2.92 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 0.00 235 G 8.58 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 0.00 236 L 7.49 4.94 0.00 1.87 1.86 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 237 D 9.17 4.58 0.00 2.93 2.57 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 0.00 238 P 0.00 4.60 0.00 2.05 2.12 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 239 V 7.35 3.67 1.80 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 -0.34 0.00 0.00 0.66 0.00 0.00 240 F 8.41 4.92 0.00 3.23 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 0.00 241 T 7.64 4.79 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 1.32 0.00 0.00 242 P 0.00 4.28 0.00 2.36 2.39 0.00 3.89 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 2.13 1.98 0.00 243 A 7.90 4.34 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 T 7.62 5.10 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 1.35 0.00 0.00 245 G 8.67 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 T 7.42 4.61 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 1.32 0.00 0.00 247 P 0.00 4.56 0.00 2.20 2.08 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 248 V 7.99 4.42 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 0.85 0.00 0.00 0.98 0.00 0.00 249 V 8.27 3.80 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 0.73 0.00 0.00 0.93 0.00 0.00 250 G 8.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 G 8.29 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 252 L 8.44 4.68 0.00 1.81 1.65 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 253 S 8.99 4.89 0.00 3.94 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 254 Y 6.98 3.61 0.00 2.01 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 R 7.80 3.89 0.00 1.90 1.98 0.00 3.23 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 256 E 8.04 4.07 0.00 2.21 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 2.28 2.31 0.00 257 G 8.41 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 0.00 0.00 0.00 258 L 7.68 4.06 0.00 1.70 1.59 0.65 0.33 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 0.00 259 Y 8.19 3.86 0.00 3.16 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 0.00 260 I 7.94 3.66 2.12 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 1.60 1.05 0.94 0.00 0.00 261 T 7.74 3.90 4.11 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 1.23 0.00 0.00 262 E 8.30 3.90 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 263 E 8.04 4.06 0.00 2.08 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 0.00 1.68 2.25 0.00 264 I 7.65 3.87 2.07 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 1.78 0.81 0.91 0.00 0.00 265 Y 8.05 4.13 0.00 3.15 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 0.00 266 K 7.69 3.79 0.00 1.77 1.87 0.00 1.79 0.00 0.00 1.99 0.00 0.00 3.21 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.53 7.81 267 T 7.32 3.84 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 0.49 0.00 0.00 268 G 7.56 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 0.00 269 L 7.33 4.66 0.00 1.46 1.58 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 270 L 7.98 4.25 0.00 1.59 1.59 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 271 S 9.44 4.73 0.00 3.92 4.01 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 0.00 272 G 7.81 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 273 L 9.13 5.26 0.00 1.70 1.52 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 274 D 9.01 5.29 0.00 2.58 2.53 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 0.00 275 I 8.71 4.65 1.87 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 1.21 1.20 0.86 0.00 0.00 276 M 8.82 4.70 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 277 E 8.99 3.73 0.00 2.29 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 2.27 2.73 0.00 278 V 7.68 3.64 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 279 N 8.44 4.77 0.00 2.77 2.71 0.00 0.00 6.96 8.16 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 0.00 280 P 0.00 4.36 0.00 2.09 2.12 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 281 T 8.01 4.26 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 1.22 0.00 0.00 282 L 7.68 4.31 0.00 1.85 1.76 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 283 G 7.84 3.72 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 0.00 0.00 0.00 284 K 9.17 4.06 0.00 1.75 1.94 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.38 7.81 285 T 7.42 4.79 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 1.21 0.00 0.00 286 P 0.00 4.25 0.00 2.18 2.16 0.00 3.60 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 2.12 2.15 0.00 287 E 8.15 3.93 0.00 2.00 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 2.38 2.35 0.00 288 E 8.06 3.98 0.00 2.26 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 2.32 0.00 289 V 7.67 3.57 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 1.05 0.00 0.00 290 T 8.02 3.88 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 291 R 8.35 3.89 0.00 2.18 2.09 0.00 3.31 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 292 T 7.81 3.90 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 293 V 8.15 3.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.01 0.00 0.00 294 N 8.40 4.36 0.00 2.91 2.89 0.00 0.00 6.73 7.67 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 0.00 295 T 8.25 4.02 4.49 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 1.47 0.00 0.00 296 A 7.91 3.78 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 0.00 297 V 7.80 3.48 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 0.99 0.00 0.00 0.98 0.00 0.00 298 A 8.10 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 299 L 7.81 3.66 0.00 1.50 1.19 0.17 0.24 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 0.00 300 T 7.80 3.71 4.35 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 1.32 0.00 0.00 301 L 7.95 4.02 0.00 1.76 1.69 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 302 S 7.96 4.28 0.00 3.84 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 0.00 303 C 7.49 3.88 0.00 2.51 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 0.00 0.00 0.00 304 F 7.08 4.83 0.00 2.79 2.37 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 0.00 305 G 6.76 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 0.00 0.00 0.00 306 T 7.72 3.88 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 1.16 0.00 0.00 307 K 8.06 4.77 0.00 1.83 1.64 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.44 7.81 308 R 8.55 4.04 0.00 1.83 2.01 0.00 3.20 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 309 E 8.02 4.02 0.00 2.06 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 2.26 2.29 0.00 310 G 7.54 4.01 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 0.00 0.00 0.00 311 N 7.99 5.13 0.00 2.67 2.75 0.00 0.00 6.83 8.16 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 0.00 312 H 8.07 4.62 0.00 3.09 3.05 0.00 5.53 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 K 8.71 4.18 0.00 1.84 1.80 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.56 7.81 314 P 0.00 4.42 0.00 2.21 2.17 0.00 3.81 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 2.06 1.98 0.00 315 E 8.64 3.89 0.00 2.13 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 2.19 2.30 0.00 316 T 7.48 4.22 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 317 D 8.34 4.83 0.00 2.60 2.53 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 0.00 318 Y 8.84 4.16 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 *319 L 7.78 4.20 0.00 1.55 1.52 0.95 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 * Residues marked with a * may have inaccurate shift predictions.