NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2319 7.8833 121.3692 61.1542 39.1575 173.9940 3 L 4.7654 8.2427 127.0331 52.4254 44.5324 174.2727 4 G 4.2690 9.6668 111.4350 45.5170 0.0000 171.5790 5 I 4.7144 8.7486 128.8657 59.4853 39.3089 174.7129 6 D 5.1299 9.2738 128.2660 52.3330 42.5381 173.2540 7 I 4.2242 8.3185 125.4462 59.3073 39.1627 175.7556 8 G 3.9064 7.9141 115.7594 44.9516 0.0000 172.3508 9 G 3.7322 7.6291 109.8083 45.8700 0.0000 175.3066 10 A 3.9156 7.6856 119.0157 53.5916 18.8658 176.6239 11 N 5.4214 8.0550 115.3237 51.5471 42.4227 172.9146 12 T 4.7769 8.2799 117.1746 60.3976 71.1878 173.6693 13 K 5.0688 8.9509 125.1013 54.6552 35.2634 175.1658 14 I 5.0327 8.5840 124.0174 59.8179 40.8103 174.4475 15 T 4.9641 8.8967 123.4498 61.8432 71.2248 172.8574 16 E 4.7426 9.6039 126.7955 54.6931 31.7099 174.8991 17 L 4.8721 8.4570 125.3536 53.4630 43.1827 176.1776 18 H 4.9717 9.1465 122.2624 54.4854 30.4089 176.6440 19 E 4.0622 8.9427 118.4373 58.9751 29.9136 177.5968 20 N 4.5255 8.1816 114.5710 53.4516 37.5021 174.6732 21 G 4.1667 7.9745 108.1810 45.6338 0.0000 174.1672 22 E 4.4953 8.7689 117.9880 55.8811 31.4544 175.6338 23 F 5.5340 7.5472 114.1551 55.6021 41.8080 173.5494 24 K 4.7044 9.3796 119.8723 54.9100 35.7091 174.6673 25 V 4.7726 8.5772 126.7473 61.5578 33.4029 174.2672 26 H 5.1992 9.4741 124.6018 54.3275 32.2192 172.5540 27 H 5.3374 8.9613 117.5386 54.0882 31.7646 173.3402 28 L 5.0444 8.8484 121.2297 53.1278 45.8768 174.8127 29 Y 5.0606 9.8319 122.9916 53.4782 41.5710 175.1099 30 F 4.7086 6.5918 120.4584 57.5649 39.7051 176.3452 *35 N 4.5785 8.2337 117.7190 53.0658 40.3935 175.3491 36 N 4.1871 8.0667 116.0698 56.6312 38.8940 175.8256 37 D 4.2176 8.0164 119.1277 57.3186 41.2021 178.0465 38 K 3.7641 7.9758 117.5682 60.0078 32.3598 178.2650 39 L 3.9989 7.6562 120.9441 58.0900 42.1620 178.8454 40 A 4.1074 8.2381 120.9190 55.1175 18.2760 179.1560 41 E 3.6332 8.2517 117.9237 59.1806 29.4242 179.0433 42 V 3.8479 7.4911 110.8244 62.7933 31.6628 177.0675 43 L 4.6871 7.6249 117.2792 54.4914 42.6816 177.4138 44 K 4.6437 8.2520 121.1235 57.1768 32.0920 176.3470 45 T 4.0580 7.5893 109.4305 63.5340 68.6663 172.9672 46 Y 3.8563 8.8806 126.4615 58.4264 36.9458 168.1041 47 S 4.5873 7.9839 113.8932 56.2862 64.3510 173.8354 48 N 4.7280 8.4948 122.0115 53.7319 38.8701 174.8479 49 D 5.0048 7.4587 117.2336 52.4723 45.8888 174.8515 50 V 4.7420 8.3018 121.0016 59.8828 34.8976 174.1593 51 S 5.1726 9.0633 120.0539 56.9981 65.1985 172.2508 52 H 5.2918 9.4381 125.3728 54.2472 32.2457 173.4702 53 V 4.7449 8.5807 124.3335 60.0040 34.4760 173.8907 54 A 4.7893 8.5885 126.8250 50.7806 19.6959 176.8638 55 L 4.3094 8.5568 125.3375 56.4760 43.3486 177.4914 56 V 3.9506 7.6287 117.0747 61.8485 32.2771 173.6463 57 T 4.7246 7.8711 115.8784 63.5804 70.7528 174.7460 58 T 4.2126 8.5657 125.1113 64.4261 68.3965 173.9877 59 A 3.9162 7.7741 125.3032 53.5729 17.4448 177.3407 60 E 3.6736 8.4942 121.1781 58.5201 26.7153 174.9438 *70 E 4.2001 7.8145 118.6671 56.5011 30.7589 176.5443 71 G 3.9352 8.4859 105.7730 46.3358 0.0000 175.6321 72 V 3.7865 7.6594 121.7792 64.4842 31.4537 177.8671 73 D 4.4232 7.8737 119.9709 57.1398 40.5255 178.3358 74 N 4.3968 8.1861 117.5841 56.1413 38.5238 177.5389 75 I 3.7811 7.7016 114.1380 63.9296 37.7312 178.1889 76 L 3.9869 7.8758 120.4094 57.7065 41.5204 179.2735 77 N 4.3540 8.1507 116.0423 56.1921 38.1226 177.4401 78 A 3.9615 8.3352 122.2423 55.0812 18.4715 179.6055 79 A 4.0780 8.4159 119.7628 55.1328 18.4426 179.5244 80 E 4.1211 8.6732 118.7708 59.1809 29.5599 178.5733 81 S 4.2924 8.0170 111.9511 59.7465 63.4353 175.1120 82 A 4.1618 7.1143 122.3322 52.6249 19.6370 177.3779 83 F 4.8498 8.0533 112.6040 56.6759 41.3733 177.1638 84 G 3.9354 8.2600 107.8939 45.4305 0.0000 174.3543 85 S 4.5294 8.4625 115.2017 58.9028 64.4822 174.0277 86 N 4.7774 7.8206 120.3668 53.9524 37.5770 174.6716 87 I 4.8486 7.6054 118.3747 59.5718 40.6034 176.7717 88 S 4.8257 9.1884 122.9206 56.9079 65.5191 173.5363 89 V 4.7613 8.5317 119.2734 60.2353 33.3156 175.4486 90 F 4.2592 9.2103 128.5750 57.5056 39.7414 174.8139 91 D 4.6824 8.7953 127.6765 54.0953 42.3109 176.7232 92 S 4.4549 8.1331 113.9633 58.4257 63.2451 174.4534 93 N 4.5834 7.8333 117.0884 52.9863 39.3539 175.0462 94 G 3.2325 7.3594 106.2083 45.1550 0.0000 172.8905 95 N 4.8231 6.8965 115.2427 50.6773 42.3205 173.7005 96 F 5.0824 8.6032 121.2732 57.2909 40.0024 174.9532 97 I 4.8802 8.8646 116.6281 58.5405 41.1845 175.3640 98 S 4.4965 8.5767 117.6078 58.2020 63.6696 175.1747 99 L 3.8822 8.5310 124.1634 58.1612 42.2506 177.3445 100 E 3.8558 8.4195 118.6801 57.0588 30.2000 180.5710 101 S 3.0269 9.0518 112.4270 57.9605 66.0758 175.7540 102 A 3.2724 6.1630 123.3851 52.8412 20.9064 179.0980 103 K 4.1486 8.1228 114.7039 59.0192 33.6266 179.9785 104 T 3.9013 7.5529 115.5149 65.8498 69.0627 174.2003 105 N 4.6050 7.7864 120.8303 56.0168 37.5403 176.0362 106 N 3.8651 7.0267 114.7953 53.9334 37.1857 177.0556 *108 K 4.2113 7.8016 121.3859 57.7806 34.8767 177.9433 109 V 3.5023 7.7951 118.7996 65.8613 32.0008 175.9398 110 S 4.1804 7.7675 113.4036 58.1889 63.3302 172.7362 111 A 4.8424 8.1233 125.5144 50.4090 22.6078 176.0057 112 S 4.4193 8.0955 114.3363 57.6232 64.8269 173.3449 113 N 4.6308 8.8022 116.5537 53.9138 39.3020 175.5743 114 W 4.7714 7.2766 113.7644 57.4826 29.9549 176.8708 115 C 3.6652 7.0518 120.0573 62.4380 30.7990 175.8801 116 G 3.1186 7.8185 106.4659 47.8548 0.0000 175.4832 117 T 4.0319 7.8531 117.6019 66.3750 68.4697 176.3771 118 A 4.0768 8.7988 122.9134 55.1374 18.0452 179.5617 119 K 3.9313 8.2886 118.1990 59.4050 32.2673 178.8099 120 W 4.2189 8.6545 129.1069 60.4185 30.5463 178.1895 121 V 2.9222 8.1020 118.6662 65.7502 30.7857 178.1783 122 S 4.4489 8.1677 114.1689 59.9471 62.8185 175.4560 123 K 4.4599 7.5081 119.2812 56.2995 33.3300 176.3788 124 N 4.9312 7.8870 113.8203 52.6274 41.0929 174.8442 125 I 4.1792 7.3794 115.9091 62.0512 39.2248 175.6397 126 E 4.5692 8.0617 119.7944 55.1335 32.9114 175.4702 127 E 4.0517 8.8594 125.8801 58.3827 31.0939 175.5741 128 N 5.3304 7.7483 116.4309 52.3762 40.8814 173.4624 129 C 4.8594 8.0972 118.7962 58.0177 34.3217 172.0004 130 I 4.8187 8.1528 119.2762 59.7070 40.1846 174.7462 131 L 4.6518 8.7396 130.0275 54.3200 43.7277 175.4297 132 V 4.4008 9.0386 126.7168 61.4627 33.9399 173.7427 133 D 5.2456 8.8816 127.8048 51.9051 44.7859 175.0575 *135 G 4.1906 8.3096 105.9883 46.5658 0.0000 175.2579 136 S 4.5584 8.8349 114.8426 59.8550 64.4407 176.2657 137 T 4.4598 8.1501 115.0955 64.3366 70.5835 174.4325 138 T 4.5942 7.7747 108.1527 59.8719 72.3543 173.5471 139 T 4.7376 8.5563 118.4227 62.0218 71.8401 172.9056 140 D 4.8824 8.9322 127.0140 53.3111 43.2917 176.0885 141 I 5.0704 8.6548 123.5045 59.0090 39.0625 172.7914 142 I 4.6263 8.2613 119.6660 57.8607 40.3125 173.6415 143 P 4.8805 0.0000 0.0000 62.7239 33.1744 174.9455 144 I 4.9623 8.7263 122.8491 59.5508 40.6856 174.5381 145 V 4.3914 8.7723 126.8054 61.3218 34.4058 175.4188 146 E 3.8864 9.8823 128.2410 57.6335 26.9752 175.6010 147 G 3.9356 8.3959 103.2929 45.5429 0.0000 173.7141 148 K 4.5373 7.8130 118.7992 54.0375 35.0371 175.6238 149 V 4.2265 8.3949 123.0986 62.4260 31.6887 176.3221 150 V 4.3484 8.1569 129.2958 61.1837 31.6481 175.8161 151 A 4.6143 7.9589 122.2679 51.9601 19.8426 177.6771 152 E 4.3053 8.8060 119.8132 56.4759 30.1891 177.9275 153 K 4.3958 8.6587 119.6498 58.8302 33.0115 178.4618 154 T 4.6072 7.2019 109.2623 60.5005 71.7338 175.5448 155 D 4.4548 8.5721 121.7886 57.2746 40.6549 178.7903 156 L 3.9660 7.8539 119.7489 58.4057 42.3156 178.6542 157 E 4.1330 7.7795 116.8822 59.1070 29.6223 179.1799 158 R 4.1564 7.9354 118.5345 58.6390 29.8638 179.2369 159 L 4.3902 8.1280 117.7938 55.0290 41.3426 178.1281 *161 N 4.5246 7.9501 113.9474 52.4606 40.0520 174.1651 162 H 4.1792 7.7807 113.1908 57.1480 26.9390 175.1320 163 E 4.8133 8.4890 117.6118 55.7333 30.6127 175.5112 164 L 4.9712 7.6246 121.7259 53.2537 45.0440 174.8761 165 L 4.7357 8.8472 128.2996 53.1468 44.9715 176.3012 166 Y 4.2406 8.5439 126.1757 56.5819 36.5273 175.0410 167 V 4.2972 7.4669 111.8611 59.4804 35.3073 175.5470 168 G 4.3399 8.8669 113.6319 43.7043 0.0000 172.5742 169 T 4.7553 8.4611 113.9902 65.2519 68.9010 176.4604 170 L 4.4094 7.8092 118.2686 56.4696 44.1103 177.5424 171 R 4.4175 7.9382 114.2392 56.4121 30.1490 176.2328 172 T 4.3003 7.6253 116.9446 61.5492 69.5991 172.9038 173 P 4.7450 0.0000 0.0000 62.4524 32.3647 177.4888 174 I 3.2903 8.2166 123.7989 64.3613 37.1166 178.4622 175 S 4.9564 7.7484 112.6631 59.7234 63.2016 175.4398 176 H 4.1936 7.8539 120.7877 58.9150 29.7725 176.3502 177 L 4.1766 7.8957 119.0365 56.1505 42.0839 177.6283 178 G 4.3121 7.3079 109.0626 45.4110 0.0000 172.7036 179 N 5.0388 8.1975 119.6264 52.9770 38.6509 174.2286 180 T 5.0411 7.6297 108.3336 60.8333 72.0905 172.7797 181 I 4.4254 8.5865 122.1177 59.3772 42.1686 173.7487 182 S 4.6798 8.5601 122.6728 58.2576 62.9514 173.0838 183 F 4.8751 9.2337 129.8646 57.6559 42.2234 174.7839 184 K 3.3918 9.1875 127.7438 57.5876 29.1615 175.2089 185 G 3.9340 7.9592 102.0896 45.9836 0.0000 172.7999 186 V 4.4772 7.8299 113.0624 58.8883 35.7120 174.4641 187 D 4.6695 8.9420 124.3079 55.1667 41.6893 175.1191 188 T 4.7338 8.8330 123.9926 61.5353 71.0099 174.3249 189 N 4.8456 8.8959 123.4298 53.5814 39.4131 174.6281 190 V 4.7217 7.9391 114.0173 59.2143 35.4912 175.8231 191 S 4.3204 9.2664 117.7683 58.7368 62.7198 174.3469 192 S 4.6123 8.2789 117.4354 58.0722 63.8248 174.4514 193 E 3.7992 7.5925 121.0819 56.4349 29.4621 176.8559 194 Y 4.2875 7.8737 122.6357 56.9443 37.5234 174.1912 195 F 4.9133 8.2350 123.1771 57.8369 41.6883 175.9896 196 A 4.7834 7.4630 121.0955 50.1449 22.2552 174.3285 197 I 4.9076 8.3020 112.7975 58.1032 41.0551 176.6321 198 T 3.5594 8.1922 110.4144 64.6635 68.0375 176.1494 199 A 3.9945 7.6195 124.5414 54.5354 18.2016 179.1653 200 D 4.4602 8.0019 117.2884 57.3977 40.8775 179.0878 201 I 3.8907 7.5614 119.8565 64.6371 37.2106 178.4535 202 S 4.2284 8.6154 116.4216 61.6483 62.5221 177.0684 203 V 3.6241 7.9851 120.9440 66.0560 31.1092 178.3602 204 V 3.6771 7.7268 116.8827 65.1688 31.3970 176.9684 205 L 4.4159 7.7221 116.2297 53.4152 41.6892 176.1107 206 E 3.8474 7.5561 116.9690 57.4130 27.4634 175.9234 207 K 4.1864 8.2456 119.4336 58.2491 32.5290 177.8241 208 V 4.4704 7.1834 110.3878 59.7855 35.8173 174.1821 209 T 4.2222 8.5835 118.0280 61.8370 67.6102 175.5556 210 T 4.1321 8.3363 119.9138 66.1332 68.5746 176.3639 211 E 4.2465 7.7624 118.5379 57.7150 29.6370 177.0836 212 E 4.4202 7.8690 117.1093 56.5990 30.0708 176.8281 213 Y 4.3274 7.3905 120.3231 57.4635 36.8302 174.7783 214 T 4.1825 8.1457 121.4495 65.4821 69.3231 175.3255 215 C 4.6041 7.8854 114.7699 56.9103 31.0060 172.8308 216 D 4.5999 8.4473 120.3207 54.4113 41.0068 176.7658 217 T 4.4208 8.1832 112.4672 60.5766 69.9080 172.8181 218 P 4.4778 0.0000 0.0000 65.4693 31.3835 177.0982 219 D 4.6206 8.1433 114.8904 53.2189 40.3964 177.2841 220 G 3.9232 8.1897 107.6114 45.0059 0.0000 173.5407 221 K 4.2711 8.8499 120.4214 54.5335 33.7777 176.2389 222 G 4.0871 8.6087 108.5343 46.0102 0.0000 173.2473 223 T 3.9496 7.9326 107.3118 60.8436 69.7840 174.7432 224 D 4.5379 7.7199 123.2226 53.5166 41.1549 177.0597 225 K 3.9781 8.4668 119.6096 59.4414 32.0670 178.6528 226 R 3.8369 7.8717 118.4912 59.6979 30.2476 178.2344 227 S 4.0893 8.5026 115.0705 61.9302 62.7262 177.1566 228 S 4.3771 7.8835 118.3481 61.2175 62.5678 176.7458 229 L 4.0184 7.7768 121.3031 57.7581 41.0537 179.8535 230 V 3.5441 7.7141 117.7613 65.9338 31.6083 178.0701 231 R 4.0008 7.9651 117.9230 59.1078 29.9159 179.0190 232 I 3.6716 8.0801 120.0033 64.6497 37.1707 178.4309 233 S 4.1649 8.2173 116.0282 61.7740 62.4349 176.9315 234 K 3.7640 7.3381 119.5715 58.4825 31.8579 179.0714 235 V 3.9658 8.2716 119.4262 64.5956 31.2208 176.4843 236 L 4.7009 7.5631 118.1877 55.1853 42.3896 175.8937 237 C 4.1898 8.1828 111.8270 60.9108 25.9939 171.8830 238 S 4.4978 7.2443 112.7362 57.9688 65.2379 170.9862 239 D 4.5366 7.9960 116.6121 52.8048 41.5697 175.6279 240 L 4.5394 8.3278 114.3898 55.1396 41.1133 177.3892 241 D 4.7532 8.3846 119.3988 56.1261 42.2980 177.9797 242 Q 4.1406 8.4057 118.3054 57.9312 29.1868 175.7468 243 I 4.7537 7.6039 109.7674 58.5519 40.8611 175.0479 244 S 4.4245 8.5905 116.4702 57.5884 64.3015 175.2419 245 E 4.0554 8.6292 120.1805 59.4913 29.1430 179.6189 246 I 3.9026 7.4446 119.6081 63.9639 37.2359 178.1550 247 D 4.4574 8.0637 119.7969 57.3363 40.6748 178.6160 248 A 4.1269 8.0416 120.6435 54.8439 18.5028 179.1214 249 E 3.9711 8.1101 117.9724 59.4614 29.6204 178.7005 250 N 4.5140 8.1656 116.1325 55.8909 38.4813 177.4987 251 I 3.7862 7.7388 120.9303 64.5190 37.2871 178.2392 252 A 4.2079 7.9165 121.6086 55.2051 18.2938 179.8925 253 K 4.1430 8.1028 116.8776 59.7313 32.2801 179.4225 254 N 4.4628 8.6445 117.1559 56.5452 38.4367 177.1480 255 Y 4.1984 8.4617 118.2544 60.9274 37.9478 177.6234 256 Y 4.5972 8.3832 120.9760 60.5633 38.8846 177.5181 257 E 3.9101 8.2628 120.1684 59.2447 29.7311 178.8027 258 L 4.0732 7.9737 118.6897 57.3121 41.7591 179.0995 259 W 4.3835 8.5029 128.4617 60.6885 30.6106 178.1372 260 K 3.7303 7.9303 118.1575 59.3245 31.4741 178.8987 261 E 3.9130 8.1858 119.5401 59.3080 29.4028 178.6726 262 L 4.0117 8.4081 120.6874 58.0896 42.1463 179.0550 263 I 3.6981 7.7434 119.4171 64.1891 37.0059 178.0203 264 L 3.9765 8.2096 121.7206 58.2458 41.9639 178.8024 265 E 4.0612 8.2043 117.4921 59.7278 29.2546 178.8658 266 N 4.3186 8.0117 117.3025 55.8997 38.4686 177.6454 267 V 3.5405 7.8095 119.7789 65.8808 31.6138 177.9067 268 E 4.2201 9.0425 119.0175 59.5734 29.0771 178.9060 269 N 4.3304 8.1635 116.2358 56.6904 39.3527 176.8213 270 V 3.7644 7.7582 119.4022 65.5136 31.7293 177.9547 271 A 4.3081 8.2584 122.4517 54.6128 18.0178 179.3901 272 E 3.9758 8.2246 116.3052 59.3681 29.5190 179.3336 273 K 3.8818 7.4088 116.5137 58.7763 32.3605 177.5335 274 Y 4.6777 7.4084 113.8558 56.9935 38.8399 176.1604 275 G 4.0047 8.2546 106.0546 46.1671 0.0000 174.4585 276 S 4.3125 7.7099 113.9900 58.2622 63.0208 174.5868 277 K 4.7631 8.7743 121.1399 56.0617 34.2275 175.3686 278 K 4.9838 8.0826 120.1081 54.6086 35.1341 175.4696 279 V 4.8072 8.5564 116.4699 59.4625 35.7619 174.8062 280 V 4.8376 8.8066 124.2188 61.2220 33.9315 174.3671 281 I 5.2942 8.1609 121.5499 59.3285 40.5381 174.3405 282 T 4.7059 8.3851 116.5948 62.1860 71.2606 172.8284 283 G 4.0798 9.0181 109.8589 44.4814 0.0000 174.4384 284 L 3.9424 8.4942 118.3750 58.0007 41.6476 179.5067 285 G 4.0988 7.8599 103.6497 45.1092 0.0000 175.8016 286 E 4.0014 8.0393 123.2723 59.0236 29.6524 178.6341 287 N 4.3033 8.0631 116.0241 56.4098 38.6769 177.3705 288 I 3.7405 7.5679 120.5732 64.1971 37.1347 178.1824 289 L 3.8962 8.1351 120.4739 57.6955 41.3627 179.5404 290 K 4.1124 8.0492 116.0619 58.6743 32.6446 177.9350 291 D 4.4802 7.3098 117.9896 56.9482 41.5587 177.5917 292 A 4.1875 7.9902 120.0018 53.6162 18.7189 177.9178 293 L 4.8023 7.9788 117.0598 54.4242 42.2941 178.5121 294 A 4.1178 8.2731 124.4405 55.4071 18.3886 179.8255 295 D 4.3754 8.1758 114.5837 56.9216 41.0695 176.5651 296 F 4.5270 8.0812 117.1762 56.0723 41.0553 175.4948 297 E 4.2520 8.5938 120.7722 55.9183 30.0948 175.2936 298 V 4.5685 8.3917 127.8113 61.8628 33.1359 175.0446 299 I 4.3609 8.7600 129.4178 59.7496 39.2125 174.3966 300 S 4.7782 8.4457 123.0293 57.1508 63.3720 175.2141 301 V 3.8755 8.8466 127.0343 66.1217 31.1969 178.0530 302 A 4.3725 8.6845 120.4940 54.8165 17.9159 179.2775 303 E 4.0337 7.7634 116.3927 58.9715 29.8675 178.5244 304 R 4.0780 8.0253 117.6847 57.9208 30.3825 176.2968 305 Y 4.6225 8.7824 113.2668 56.7448 40.1712 176.3063 306 G 4.1466 8.0741 107.3247 45.0155 0.0000 174.8572 307 K 3.9356 8.8336 119.7821 59.6628 31.8001 179.3916 308 D 4.4289 8.0749 117.5223 57.3065 40.9822 178.5793 309 V 3.4572 7.6794 118.3447 65.9124 31.5809 177.7780 310 S 4.1814 7.8402 113.7096 60.1605 61.9188 175.1438 311 L 4.5818 7.5082 118.4611 54.4263 42.1870 176.8084 312 A 4.6672 8.1184 123.5805 50.2310 19.8194 178.7798 313 T 3.6190 8.3998 118.8732 67.8865 68.6613 173.7384 314 P 4.2094 0.0000 0.0000 65.7558 31.2204 178.7685 315 S 4.0068 7.8175 112.3171 61.2210 62.9876 176.1702 316 F 3.6259 7.8110 123.6226 60.6083 39.0405 176.8387 317 A 2.7961 8.2030 121.5357 55.1612 18.0651 180.1741 318 V 3.3140 7.2493 109.9562 64.1118 31.4057 178.7770 319 A 3.7677 7.3749 120.7886 55.0254 18.1010 179.5879 320 E 3.6593 7.5997 117.0504 59.3820 29.4826 179.4974 321 L 4.1075 7.9835 119.1654 57.7604 41.7476 179.4214 322 L 3.5163 8.1709 120.4154 57.9325 42.0191 179.0019 323 K 3.9278 8.1740 119.7693 59.3689 31.9969 178.6183 324 N 4.4252 8.5897 117.4919 56.1876 38.4582 177.2793 325 E 3.9998 8.2751 120.0829 59.1054 29.5498 179.4623 326 L 3.8842 7.6240 118.6873 57.9292 41.8084 179.4635 327 L 4.0883 7.9661 118.7849 57.6691 41.2504 179.4748 328 E 3.9216 8.1942 118.8453 59.6055 29.7540 177.8419 329 H 4.2089 8.3586 117.3307 57.8647 29.9477 175.9333 330 H 4.1716 8.3226 115.9019 55.3942 28.0960 174.6431 331 H 4.4151 5.2900 127.8379 57.2788 31.2932 173.0918 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 I 7.88 4.23 1.73 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 1.22 0.38 0.76 0.00 0.00 3 L 8.24 4.77 0.00 1.26 1.33 0.75 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 4 G 9.67 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.75 4.71 2.03 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 0.96 0.82 1.03 0.00 0.00 6 D 9.27 5.13 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.32 4.22 1.92 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 1.15 1.53 0.88 0.00 0.00 8 G 7.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.63 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 10 A 7.69 3.92 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 11 N 8.06 5.42 0.00 2.73 2.62 0.00 0.00 7.37 7.22 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 12 T 8.28 4.78 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 0.97 0.00 0.00 13 K 8.95 5.07 0.00 1.64 1.65 0.00 1.56 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.35 7.81 14 I 8.58 5.03 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.25 0.96 0.00 0.00 15 T 8.90 4.96 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 1.13 0.00 0.00 16 E 9.60 4.74 0.00 1.88 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 0.00 2.30 2.40 0.00 17 L 8.46 4.87 0.00 1.60 1.51 0.68 0.63 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 18 H 9.15 4.97 0.00 3.38 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.94 4.06 0.00 2.13 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 0.00 2.42 2.38 0.00 20 N 8.18 4.53 0.00 2.86 3.01 0.00 0.00 6.30 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.97 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 0.00 0.00 0.00 22 E 8.77 4.50 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.32 0.00 23 F 7.55 5.53 0.00 3.22 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 24 K 9.38 4.70 0.00 1.93 1.69 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.29 7.81 25 V 8.58 4.77 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 0.77 0.00 0.00 1.02 0.00 0.00 26 H 9.47 5.20 0.00 3.09 3.20 0.00 5.61 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 27 H 8.96 5.34 0.00 3.01 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.85 5.04 0.00 1.77 1.66 1.08 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 9.83 5.06 0.00 2.98 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 30 F 6.59 4.71 0.00 3.21 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 *35 N 8.23 4.58 0.00 2.75 2.71 0.00 0.00 6.54 6.71 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 36 N 8.07 4.19 0.00 2.84 2.82 0.00 0.00 6.86 8.49 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 37 D 8.02 4.22 0.00 2.69 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 38 K 7.98 3.76 0.00 1.89 1.89 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.45 7.81 39 L 7.66 4.00 0.00 1.77 1.79 1.01 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 40 A 8.24 4.11 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 41 E 8.25 3.63 0.00 1.93 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 2.24 2.22 0.00 42 V 7.49 3.85 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 0.85 0.00 0.00 1.04 0.00 0.00 43 L 7.62 4.69 0.00 1.95 1.81 1.06 0.67 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 44 K 8.25 4.64 0.00 1.96 1.90 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.80 7.81 45 T 7.59 4.06 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 1.26 0.00 0.00 46 Y 8.88 3.86 0.00 3.05 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 47 S 7.98 4.59 0.00 4.09 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 48 N 8.49 4.73 0.00 2.75 2.84 0.00 0.00 6.01 8.06 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 49 D 7.46 5.00 0.00 2.41 2.36 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 50 V 8.30 4.74 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 0.69 0.00 0.00 0.52 0.00 0.00 51 S 9.06 5.17 0.00 4.11 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 9.44 5.29 0.00 3.21 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.58 4.74 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 0.63 0.00 0.00 0.88 0.00 0.00 54 A 8.59 4.79 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 55 L 8.56 4.31 0.00 1.70 1.69 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.63 3.95 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 0.76 0.00 0.00 0.91 0.00 0.00 57 T 7.87 4.72 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 1.22 0.00 0.00 58 T 8.57 4.21 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 59 A 7.77 3.92 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 60 E 8.49 3.67 0.00 2.15 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 2.26 0.00 *70 E 7.81 4.20 0.00 2.02 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 2.30 2.26 0.00 71 G 8.49 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 72 V 7.66 3.79 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 0.82 0.00 0.00 0.95 0.00 0.00 73 D 7.87 4.42 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.19 4.40 0.00 2.93 2.88 0.00 0.00 6.67 6.71 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 75 I 7.70 3.78 1.99 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 1.75 1.22 0.96 0.00 0.00 76 L 7.88 3.99 0.00 1.77 1.78 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.15 4.35 0.00 2.84 2.86 0.00 0.00 6.97 7.40 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 78 A 8.34 3.96 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 79 A 8.42 4.08 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 80 E 8.67 4.12 0.00 2.08 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 0.00 2.30 2.49 0.00 81 S 8.02 4.29 0.00 4.03 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 82 A 7.11 4.16 0.66 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 0.00 0.00 83 F 8.05 4.85 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.26 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 85 S 8.46 4.53 0.00 3.99 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 86 N 7.82 4.78 0.00 2.71 2.92 0.00 0.00 6.91 6.92 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 87 I 7.61 4.85 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.93 0.00 0.00 88 S 9.19 4.83 0.00 3.37 3.62 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 89 V 8.53 4.76 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 0.77 0.00 0.00 1.01 0.00 0.00 90 F 9.21 4.26 0.00 2.78 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.80 4.68 0.00 2.55 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 0.00 0.00 0.00 0.00 92 S 8.13 4.45 0.00 3.90 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 93 N 7.83 4.58 0.00 2.53 2.73 0.00 0.00 7.18 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 94 G 7.36 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 6.90 4.82 0.00 2.43 2.55 0.00 0.00 7.05 8.13 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 96 F 8.60 5.08 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.86 4.88 1.87 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 1.45 0.81 0.90 0.00 0.00 98 S 8.58 4.50 0.00 4.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.53 3.88 0.00 1.63 1.75 0.95 0.98 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 0.00 100 E 8.42 3.86 0.00 2.04 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 2.38 2.32 0.00 101 S 9.05 3.03 0.00 4.12 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 0.00 102 A 6.16 3.27 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.12 4.15 0.00 1.92 2.09 0.00 1.39 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.52 7.81 104 T 7.55 3.90 4.40 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 1.21 0.00 0.00 105 N 7.79 4.61 0.00 2.82 2.77 0.00 0.00 7.12 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 0.00 106 N 7.03 3.87 0.00 2.97 3.35 0.00 0.00 5.81 6.42 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 *108 K 7.80 4.21 0.00 1.93 2.12 0.00 1.48 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.39 7.81 109 V 7.80 3.50 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 0.75 0.00 0.00 0.99 0.00 0.00 110 S 7.77 4.18 0.00 3.92 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 0.00 111 A 8.12 4.84 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 0.00 112 S 8.10 4.42 0.00 3.41 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.80 4.63 0.00 2.72 2.96 0.00 0.00 6.69 7.95 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 0.00 114 W 7.28 4.77 0.00 3.66 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 0.00 115 C 7.05 3.67 0.00 2.05 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 0.00 116 G 7.82 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 0.00 0.00 0.00 117 T 7.85 4.03 4.52 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 1.41 0.00 0.00 118 A 8.80 4.08 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 0.00 119 K 8.29 3.93 0.00 2.08 2.08 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.53 7.81 120 W 8.65 4.22 0.00 3.33 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 0.00 121 V 8.10 2.92 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 0.94 0.00 0.00 0.92 0.00 0.00 122 S 8.17 4.45 0.00 4.00 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 0.00 123 K 7.51 4.46 0.00 1.75 1.89 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.59 7.81 124 N 7.89 4.93 0.00 2.30 2.80 0.00 0.00 6.80 7.48 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 0.00 125 I 7.38 4.18 1.53 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 -0.05 0.82 0.00 0.00 126 E 8.06 4.57 0.00 1.93 1.68 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 2.19 2.36 0.00 127 E 8.86 4.05 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 128 N 7.75 5.33 0.00 2.49 2.74 0.00 0.00 6.87 7.52 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 0.00 129 C 8.10 4.86 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.15 4.82 1.75 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 1.12 0.82 0.82 0.00 0.00 131 L 8.74 4.65 0.00 1.80 1.55 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 132 V 9.04 4.40 2.01 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 0.82 0.00 0.00 0.79 0.00 0.00 133 D 8.88 5.25 0.00 2.79 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 *135 G 8.31 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 0.00 0.00 0.00 136 S 8.83 4.56 0.00 3.92 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 0.00 137 T 8.15 4.46 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 1.28 0.00 0.00 138 T 7.77 4.59 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 0.47 0.00 0.00 139 T 8.56 4.74 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 1.19 0.00 0.00 140 D 8.93 4.88 0.00 2.56 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.65 5.07 1.78 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 1.20 0.97 0.82 0.00 0.00 142 I 8.26 4.63 1.42 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.24 0.06 0.00 0.00 143 P 0.00 4.88 0.00 2.06 2.34 0.00 3.53 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 144 I 8.73 4.96 1.95 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 1.12 0.66 0.99 0.00 0.00 145 V 8.77 4.39 1.81 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 0.89 0.00 0.00 0.42 0.00 0.00 146 E 9.88 3.89 0.00 2.08 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 2.21 2.22 0.00 147 G 8.40 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 0.00 148 K 7.81 4.54 0.00 1.85 1.64 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.45 7.81 149 V 8.39 4.23 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 1.09 0.00 0.00 1.02 0.00 0.00 150 V 8.16 4.35 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.84 0.00 0.00 151 A 7.96 4.61 1.03 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 0.00 152 E 8.81 4.31 0.00 1.96 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 2.35 2.61 0.00 153 K 8.66 4.40 0.00 1.79 1.93 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.56 7.81 154 T 7.20 4.61 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 1.25 0.00 0.00 155 D 8.57 4.45 0.00 2.79 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 0.00 156 L 7.85 3.97 0.00 1.64 1.72 0.93 0.93 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 0.00 157 E 7.78 4.13 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 2.37 0.00 158 R 7.94 4.16 0.00 2.03 1.88 0.00 3.08 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 159 L 8.13 4.39 0.00 1.87 1.73 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 *161 N 7.95 4.52 0.00 2.83 2.86 0.00 0.00 7.14 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 0.00 162 H 7.78 4.18 0.00 3.25 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.49 4.81 0.00 1.72 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 2.28 2.12 0.00 164 L 7.62 4.97 0.00 1.50 1.51 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.85 4.74 0.00 1.76 1.44 0.98 0.76 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 0.00 166 Y 8.54 4.24 0.00 2.97 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 0.00 167 V 7.47 4.30 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 0.78 0.00 0.00 1.13 0.00 0.00 168 G 8.87 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 0.00 169 T 8.46 4.76 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 1.35 0.00 0.00 170 L 7.81 4.41 0.00 1.53 1.49 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 171 R 7.94 4.42 0.00 1.84 1.98 0.00 3.19 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 172 T 7.63 4.30 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 1.06 0.00 0.00 173 P 0.00 4.74 0.00 2.19 2.07 0.00 3.56 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 174 I 8.22 3.29 1.57 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.43 -0.17 0.00 0.00 175 S 7.75 4.96 0.00 4.02 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 H 7.85 4.19 0.00 3.15 3.44 0.00 5.75 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 0.00 177 L 7.90 4.18 0.00 1.95 1.88 0.63 0.63 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 0.00 178 G 7.31 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.20 5.04 0.00 2.84 3.07 0.00 0.00 5.71 7.22 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 0.00 180 T 7.63 5.04 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 1.29 0.00 0.00 181 I 8.59 4.43 1.33 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.18 0.88 0.00 0.00 182 S 8.56 4.68 0.00 3.91 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 0.00 183 F 9.23 4.88 0.00 3.00 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 0.00 184 K 9.19 3.39 0.00 1.29 1.49 0.00 1.45 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.95 0.21 7.81 185 G 7.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 V 7.83 4.48 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 0.79 0.00 0.00 1.08 0.00 0.00 187 D 8.94 4.67 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 T 8.83 4.73 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 189 N 8.90 4.85 0.00 2.61 2.78 0.00 0.00 6.86 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 0.00 190 V 7.94 4.72 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 0.75 0.00 0.00 1.03 0.00 0.00 191 S 9.27 4.32 0.00 3.92 3.96 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 0.00 192 S 8.28 4.61 0.00 3.98 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 0.00 193 E 7.59 3.80 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 2.22 2.27 0.00 194 Y 7.87 4.29 0.00 2.74 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 0.00 195 F 8.24 4.91 0.00 2.98 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 0.00 196 A 7.46 4.78 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 I 8.30 4.91 1.96 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 1.42 0.80 0.81 0.00 0.00 198 T 8.19 3.56 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 -0.02 0.00 0.00 199 A 7.62 3.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 D 8.00 4.46 0.00 2.88 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 0.00 201 I 7.56 3.89 2.21 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 1.73 1.14 1.34 0.00 0.00 202 S 8.62 4.23 0.00 4.02 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 0.00 203 V 7.99 3.62 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.19 0.00 0.00 204 V 7.73 3.68 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 0.92 0.00 0.00 1.05 0.00 0.00 205 L 7.72 4.42 0.00 1.48 1.41 0.72 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 206 E 7.56 3.85 0.00 2.03 2.01 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 2.24 2.25 0.00 207 K 8.25 4.19 0.00 1.70 1.80 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.22 7.81 208 V 7.18 4.47 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 0.67 0.00 0.00 0.96 0.00 0.00 209 T 8.58 4.22 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 1.39 0.00 0.00 210 T 8.34 4.13 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 0.00 211 E 7.76 4.25 0.00 2.01 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 2.43 0.00 212 E 7.87 4.42 0.00 2.16 2.01 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 2.31 2.26 0.00 213 Y 7.39 4.33 0.00 3.03 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 0.00 214 T 8.15 4.18 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 1.29 0.00 0.00 215 C 7.89 4.60 0.00 3.18 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 0.00 216 D 8.45 4.60 0.00 2.79 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 0.00 217 T 8.18 4.42 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 0.81 0.00 0.00 218 P 0.00 4.48 0.00 2.09 1.63 0.00 3.70 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 1.92 1.80 0.00 219 D 8.14 4.62 0.00 2.78 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 0.00 220 G 8.19 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 0.00 221 K 8.85 4.27 0.00 2.01 1.75 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.50 7.81 222 G 8.61 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 0.00 223 T 7.93 3.95 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 0.70 0.00 0.00 224 D 7.72 4.54 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 K 8.47 3.98 0.00 1.86 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.52 7.81 226 R 7.87 3.84 0.00 1.91 2.07 0.00 3.25 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 227 S 8.50 4.09 0.00 3.90 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 0.00 228 S 7.88 4.38 0.00 4.12 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 L 7.78 4.02 0.00 1.92 1.73 0.94 0.71 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 0.00 230 V 7.71 3.54 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 231 R 7.97 4.00 0.00 2.10 2.07 0.00 3.31 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 232 I 8.08 3.67 2.02 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 1.78 0.82 0.98 0.00 0.00 233 S 8.22 4.16 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 K 7.34 3.76 0.00 1.27 0.74 0.00 1.38 0.00 0.00 0.94 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.02 1.42 7.81 235 V 8.27 3.97 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 1.11 0.00 0.00 0.94 0.00 0.00 236 L 7.56 4.70 0.00 1.40 1.40 0.84 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 237 C 8.18 4.19 0.00 3.04 2.94 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 0.00 238 S 7.24 4.50 0.00 3.81 3.62 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 0.00 239 D 8.00 4.54 0.00 2.85 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 0.00 240 L 8.33 4.54 0.00 1.65 1.73 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 241 D 8.38 4.75 0.00 2.90 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 0.00 242 Q 8.41 4.14 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 243 I 7.60 4.75 2.04 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 1.36 0.89 1.11 0.00 0.00 244 S 8.59 4.42 0.00 4.08 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 0.00 245 E 8.63 4.06 0.00 2.05 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 2.41 2.41 0.00 246 I 7.44 3.90 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 0.93 0.00 0.00 247 D 8.06 4.46 0.00 3.04 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 0.00 248 A 8.04 4.13 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 0.00 249 E 8.11 3.97 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 250 N 8.17 4.51 0.00 3.09 2.93 0.00 0.00 6.98 7.11 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 0.00 251 I 7.74 3.79 2.17 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 1.09 0.00 0.00 252 A 7.92 4.21 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 0.00 253 K 8.10 4.14 0.00 2.08 1.96 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.81 7.81 254 N 8.64 4.46 0.00 2.89 2.79 0.00 0.00 7.04 8.29 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 0.00 255 Y 8.46 4.20 0.00 3.28 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 0.00 256 Y 8.38 4.60 0.00 3.42 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 0.00 257 E 8.26 3.91 0.00 2.39 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 2.41 0.00 258 L 7.97 4.07 0.00 2.08 1.80 0.86 0.59 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 0.00 259 W 8.50 4.38 0.00 3.62 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 0.00 260 K 7.93 3.73 0.00 1.65 1.66 0.00 0.88 0.00 0.00 1.10 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.90 0.62 7.81 261 E 8.19 3.91 0.00 2.19 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 2.32 2.33 0.00 262 L 8.41 4.01 0.00 2.00 1.93 0.98 0.98 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 0.00 263 I 7.74 3.70 2.01 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.86 0.00 0.00 264 L 8.21 3.98 0.00 1.76 1.84 1.22 0.88 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 0.00 265 E 8.20 4.06 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 266 N 8.01 4.32 0.00 2.92 2.88 0.00 0.00 6.65 8.68 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 0.00 267 V 7.81 3.54 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 0.56 0.00 0.00 0.89 0.00 0.00 268 E 9.04 4.22 0.00 2.24 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 2.63 2.71 0.00 269 N 8.16 4.33 0.00 2.84 3.13 0.00 0.00 7.21 7.32 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 0.00 270 V 7.76 3.76 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 0.99 0.00 0.00 1.08 0.00 0.00 271 A 8.26 4.31 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 272 E 8.22 3.98 0.00 2.11 2.01 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 2.52 2.51 0.00 273 K 7.41 3.88 0.00 1.57 0.87 0.00 1.40 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.52 7.81 274 Y 7.41 4.68 0.00 2.99 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 0.00 275 G 8.25 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 0.00 276 S 7.71 4.31 0.00 4.21 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 0.00 277 K 8.77 4.76 0.00 1.75 1.87 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.61 7.81 278 K 8.08 4.98 0.00 1.70 1.70 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.25 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 279 V 8.56 4.81 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 0.27 0.00 0.00 0.91 0.00 0.00 280 V 8.81 4.84 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 0.98 0.00 0.00 0.88 0.00 0.00 281 I 8.16 5.29 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 1.10 1.67 0.87 0.00 0.00 282 T 8.39 4.71 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 1.28 0.00 0.00 283 G 9.02 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 0.00 0.00 0.00 284 L 8.49 3.94 0.00 1.65 1.82 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 285 G 7.86 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 286 E 8.04 4.00 0.00 2.16 2.01 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 2.33 2.35 0.00 287 N 8.06 4.30 0.00 2.74 2.84 0.00 0.00 7.15 7.32 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 0.00 288 I 7.57 3.74 1.72 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 1.53 0.46 0.14 0.00 0.00 289 L 8.14 3.90 0.00 1.91 1.67 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 290 K 8.05 4.11 0.00 1.90 1.93 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.77 1.47 7.81 291 D 7.31 4.48 0.00 2.93 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 0.00 292 A 7.99 4.19 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 0.00 293 L 7.98 4.80 0.00 1.72 1.62 0.73 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 294 A 8.27 4.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 295 D 8.18 4.38 0.00 2.51 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 0.00 296 F 8.08 4.53 0.00 3.00 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 0.00 297 E 8.59 4.25 0.00 2.13 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 2.32 2.28 0.00 298 V 8.39 4.57 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 0.85 0.00 0.00 1.05 0.00 0.00 299 I 8.76 4.36 1.95 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 1.12 0.86 0.92 0.00 0.00 300 S 8.45 4.78 0.00 3.92 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 0.00 301 V 8.85 3.88 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 1.03 0.00 0.00 1.15 0.00 0.00 302 A 8.68 4.37 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 0.00 303 E 7.76 4.03 0.00 2.09 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 2.34 2.32 0.00 304 R 8.03 4.08 0.00 1.79 2.01 0.00 3.25 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.36 0.00 305 Y 8.78 4.62 0.00 2.83 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 0.00 306 G 8.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 307 K 8.83 3.94 0.00 1.80 1.91 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.51 7.81 308 D 8.07 4.43 0.00 2.72 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 0.00 309 V 7.68 3.46 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 -0.03 0.00 0.00 0.32 0.00 0.00 310 S 7.84 4.18 0.00 4.12 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 311 L 7.51 4.58 0.00 1.72 1.72 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 312 A 8.12 4.67 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 T 8.40 3.62 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 1.14 0.00 0.00 314 P 0.00 4.21 0.00 2.24 2.01 0.00 3.45 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 2.07 2.23 0.00 315 S 7.82 4.01 0.00 4.18 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 0.00 316 F 7.81 3.63 0.00 2.76 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 0.00 317 A 8.20 2.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 318 V 7.25 3.31 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 0.17 0.00 0.00 0.86 0.00 0.00 319 A 7.37 3.77 1.03 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 0.00 320 E 7.60 3.66 0.00 1.70 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 1.47 1.47 0.00 321 L 7.98 4.11 0.00 2.04 2.02 0.73 0.56 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 0.00 322 L 8.17 3.52 0.00 1.27 1.64 0.70 -0.17 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 0.00 323 K 8.17 3.93 0.00 1.80 1.81 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 324 N 8.59 4.43 0.00 2.83 2.88 0.00 0.00 6.94 7.20 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 0.00 325 E 8.28 4.00 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 2.56 0.00 326 L 7.62 3.88 0.00 1.86 1.70 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 327 L 7.97 4.09 0.00 1.76 1.75 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 328 E 8.19 3.92 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 329 H 8.36 4.21 0.00 3.12 3.38 0.00 5.99 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 330 H 8.32 4.17 0.00 3.22 3.03 0.00 5.85 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 331 H 5.29 4.42 0.00 3.43 3.21 0.00 5.98 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 * Residues marked with a * may have inaccurate shift predictions.