NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5171 8.3349 115.4152 58.0862 64.6555 172.1996 3 L 4.9567 8.1453 118.8149 52.4754 45.4057 174.5230 4 K 5.2362 9.0360 121.9757 54.5114 36.3066 174.5060 5 L 5.1183 9.3920 126.7773 53.7397 44.3385 174.4986 6 Y 4.9372 9.9730 125.7432 55.7561 39.5062 176.2690 7 G 4.4338 7.6920 111.1809 46.9248 0.0000 170.8897 8 F 4.5723 6.1470 113.8243 55.2278 40.6615 175.2735 9 S 4.3825 8.3781 117.1411 59.8634 62.9144 175.3559 10 V 3.7026 7.4856 119.4245 63.9329 31.9987 175.6620 11 S 3.9588 7.0073 116.1462 57.5805 62.5214 174.4459 12 N 4.1429 8.6538 125.7416 56.0246 37.5041 176.0104 13 Y 4.1384 7.9764 115.6485 60.9078 38.4680 176.5679 14 Y 4.1854 8.2035 120.9297 60.7962 39.0745 179.4375 15 N 4.2762 7.8429 117.8865 52.8283 37.8954 177.4014 *17 V 3.8332 8.0066 119.0896 62.8274 33.6110 176.7694 18 K 3.2684 7.8102 120.6462 59.5447 31.8080 178.2837 19 L 3.9394 8.2155 120.3837 57.9937 42.0269 178.6584 20 A 3.9443 7.8674 120.1999 55.2414 18.3180 179.4709 21 L 3.8122 7.7773 117.4646 57.8204 41.5648 179.8197 22 L 4.0006 7.9292 119.0028 57.7833 41.3323 179.2043 23 E 3.9967 8.3936 118.5936 58.8457 29.6771 178.1759 24 K 4.2961 7.9156 116.0770 55.9497 32.4092 177.2148 25 G 3.8941 7.7425 107.3355 46.3626 0.0000 173.6246 26 L 4.4892 7.8631 119.1179 53.4592 42.7558 177.0050 27 T 4.2661 8.4022 119.8608 63.4392 69.1844 173.9248 28 F 5.1766 8.0560 119.3985 55.8182 41.1535 172.7017 29 E 4.5628 9.0719 121.2257 54.6347 31.7382 174.4084 30 E 5.1073 8.6563 125.9307 55.3862 31.3980 175.6448 31 V 4.2240 8.6713 123.8378 60.9624 34.3487 174.7050 32 T 4.3913 8.4766 125.3142 63.6898 69.2246 173.8597 33 F 4.7847 8.7474 128.1344 57.5617 43.1145 173.9565 34 Y 4.4855 8.1530 122.1878 56.8168 39.6559 177.8947 35 G 3.0984 6.0236 108.0547 48.5049 0.0000 173.8473 36 G 3.7969 9.1446 111.7263 45.1251 0.0000 173.0638 37 Q 4.4661 8.1797 115.2011 55.5618 29.1533 176.8003 38 A 4.1325 7.7045 121.6645 51.3092 20.0851 176.6600 39 P 4.1741 0.0000 0.0000 66.5900 29.6433 179.0246 40 Q 4.0205 8.0886 116.7055 58.3697 28.6323 178.2564 41 A 4.5398 7.8792 121.6454 55.1823 18.7151 179.5115 42 L 4.2511 8.2756 117.4092 57.6877 41.3830 179.5199 43 E 4.0802 7.8072 118.3035 58.6458 29.3450 178.8624 44 V 3.3080 6.7624 117.2337 63.1073 32.0961 175.8940 45 S 4.4617 7.9949 115.1407 55.4702 64.0099 172.6118 46 P 4.4017 0.0000 0.0000 64.3612 31.3475 176.9484 47 R 4.2623 7.9920 116.9288 55.5431 30.6010 176.1694 48 G 3.9543 8.2710 104.6176 47.4131 0.0000 173.8250 49 K 4.6491 7.7784 117.9675 54.9280 33.5847 176.0644 50 V 4.5702 8.0327 119.5719 60.5619 32.7598 173.3279 51 P 5.1671 0.0000 0.0000 61.9322 34.1786 174.1839 52 V 4.7437 8.6729 118.7775 61.0401 35.0471 173.5591 53 L 5.1268 9.1687 129.7173 53.5735 44.3324 174.3571 54 E 4.8237 9.3018 128.0487 55.0584 31.4657 174.9347 55 T 5.0313 8.3473 116.8512 59.3070 72.0051 174.5800 56 E 3.8657 8.8937 121.3282 58.9767 29.5008 176.8337 57 H 4.5391 8.1402 113.6922 54.9385 29.6029 173.3849 58 G 3.5037 6.9169 105.4767 43.6037 0.0000 172.4811 59 F 5.0607 8.2236 117.7529 56.5798 40.3865 175.7114 60 L 4.8336 9.0809 122.8175 52.9602 44.7010 176.2713 61 S 4.9543 8.6727 117.7303 57.3937 66.3069 169.9606 62 E 3.8132 8.2645 125.0269 56.7341 28.7190 175.7022 63 T 3.9240 8.6890 121.2683 66.9262 68.6542 176.4892 64 S 4.1876 8.0855 115.3642 61.4839 62.9548 176.5749 65 V 3.5966 7.6892 121.3291 65.7252 31.3221 177.8942 66 I 3.7562 8.1325 119.9883 64.3891 36.8654 178.4006 67 L 3.9822 8.3765 120.1944 57.9424 41.4569 179.3246 68 D 4.3300 8.0747 118.6438 57.4148 40.8748 178.1808 69 Y 4.0185 8.2350 120.0276 60.7232 38.8120 178.0759 70 I 3.5665 8.0812 120.8714 64.6606 37.0539 178.2183 71 E 3.8978 8.0820 117.8847 59.4630 29.3158 178.9295 72 Q 4.0647 7.8020 118.8465 57.9564 29.2134 176.4243 73 T 4.2677 7.3321 107.5220 61.2632 70.6400 174.2608 74 Q 4.4815 7.6694 120.5297 53.7990 30.5508 175.5591 75 G 3.6805 8.1663 109.5611 45.3900 0.0000 171.6290 76 G 3.6519 8.7554 104.8097 43.1707 0.0000 173.5584 77 K 3.7185 8.5550 119.5308 56.4332 32.2910 176.1131 78 A 4.1016 8.5205 129.2357 52.5106 19.0728 176.8737 79 L 4.6677 9.0990 121.7867 54.1529 42.2378 176.0970 80 L 4.9846 7.3766 117.1271 52.1198 45.5910 174.2415 81 P 4.4796 0.0000 0.0000 62.2864 32.1104 176.3816 82 A 4.1435 8.3638 121.1777 54.0011 18.8779 178.1090 83 D 4.7988 7.8127 116.8240 51.8998 42.1151 175.8068 84 P 4.2212 0.0000 0.0000 65.9335 31.3699 178.6719 85 F 4.1635 8.3117 120.2339 61.0015 39.4265 177.1349 86 G 3.6353 8.6484 105.4769 47.9096 0.0000 175.5963 87 Q 3.9531 8.3666 120.4087 58.7369 28.7026 178.8624 88 A 3.9051 7.9282 121.6998 54.9184 18.3605 179.6266 89 K 3.7011 7.8477 118.2872 59.3377 32.1131 179.2260 90 V 3.5218 7.7535 118.5976 66.1872 31.3899 178.3463 91 R 3.8808 7.9946 117.7124 58.8803 29.7321 178.6836 92 E 3.8853 8.5079 119.7473 59.2728 29.6911 178.8566 93 L 4.1248 7.8935 118.9593 57.7215 41.6757 179.2970 94 L 3.9499 8.1570 120.4895 58.0651 42.0443 178.9213 95 K 3.8910 8.2560 119.7422 59.5800 32.1308 178.6583 96 E 3.9535 8.4820 119.1007 59.3720 29.2964 179.3955 97 I 3.7053 7.9171 119.9804 64.1128 37.0997 178.1601 98 E 3.8844 8.1377 120.1241 59.4738 29.3789 178.9591 99 L 3.8213 7.8160 117.8942 56.8257 42.0171 178.0002 100 Y 4.8573 7.5347 114.1900 57.7715 38.7818 176.2219 101 I 4.0280 7.2171 118.2807 62.5382 39.9523 177.2450 102 E 3.9023 8.5443 120.4099 59.3999 29.2847 178.8664 103 L 3.9922 7.8178 117.8596 57.1685 42.0971 177.4911 104 P 4.3443 0.0000 0.0000 65.8018 31.2627 178.0439 105 A 4.0154 7.9199 120.8589 55.0872 18.3694 179.6083 106 R 2.0000 7.8405 117.0508 58.8295 29.7876 178.5409 107 T 4.0144 7.4058 108.0201 63.6835 68.9699 175.0070 108 C 4.7323 7.8309 118.4919 59.7042 28.9655 175.0042 109 Y 4.5353 8.0792 121.3342 60.4414 37.3195 177.9043 110 A 4.4306 8.4777 121.4351 55.5357 18.1030 179.0379 111 E 4.0320 8.0894 115.8189 59.0940 30.4778 178.3487 112 S 4.0866 8.0838 114.3002 60.5137 62.7602 175.7402 113 F 4.8302 8.0479 119.5052 57.5623 40.7832 176.1447 114 F 4.8993 7.9387 117.2383 56.6035 39.1951 174.9042 115 G 3.7612 8.0661 112.4153 45.8364 0.0000 172.6609 *117 S 4.3843 7.9320 118.1138 58.5810 64.3797 173.8390 118 V 4.2947 8.6422 124.6068 61.1290 33.0988 176.0905 119 E 4.1230 8.4826 124.5520 55.7572 31.1808 176.2945 120 P 4.2452 0.0000 0.0000 66.0336 31.4324 178.6544 121 L 4.0069 7.8956 118.2504 58.2919 42.0542 178.9973 122 I 3.8155 7.6782 119.2988 64.1191 37.0766 178.4028 123 K 4.0416 8.1341 119.4816 59.5602 31.9237 179.3359 124 E 3.9965 8.6871 119.3736 59.0988 29.2667 179.2609 125 K 3.9434 8.1617 119.6439 59.4509 32.1945 178.7621 126 A 4.0094 8.1720 121.0953 54.9891 18.2219 179.5110 127 R 3.9805 8.3403 117.1927 59.7353 30.3002 178.7085 128 A 4.0495 8.0341 120.4447 55.2033 18.3235 179.3351 129 D 4.3480 8.4626 117.7304 57.5683 40.8415 179.1021 130 L 3.9670 8.4071 119.8627 57.6643 41.6133 179.3583 131 L 4.2046 8.3911 118.9545 57.9989 41.5187 179.5876 132 A 4.1290 8.1450 120.5554 55.0352 18.3548 179.9594 133 G 3.9808 8.4365 106.0825 47.5575 0.0000 176.0312 134 F 4.2246 8.5998 120.4357 60.1480 38.8827 177.6486 135 A 3.9764 8.2361 120.5751 55.4317 18.1784 179.8079 136 T 3.8331 8.2225 114.4954 66.7299 68.4514 176.6850 137 L 4.1691 8.1965 122.3088 57.9631 41.9352 178.8907 138 K 4.1109 8.1983 119.1472 59.5701 32.1950 178.7053 139 R 4.1276 8.1208 115.2290 58.5840 29.6567 177.3788 140 N 4.7568 8.3226 116.2069 53.6079 39.8570 175.4838 141 G 3.7964 7.8604 108.8785 45.3200 0.0000 173.5847 142 R 4.2043 8.8359 120.4404 56.0222 31.6483 177.0785 143 F 3.9066 7.5231 114.4913 57.7168 36.5237 175.3438 144 A 4.8376 8.0042 118.2222 51.2801 19.8827 176.3527 145 P 4.8018 0.0000 0.0000 64.1732 32.6266 175.6001 146 Y 4.0818 7.3408 117.3836 57.0758 38.9035 176.5766 147 V 2.2820 8.9089 121.5793 65.6204 31.3823 177.6257 148 A 4.4343 8.4683 118.6981 51.7070 20.4947 178.0564 149 G 4.0987 6.8857 104.7729 45.9661 0.0000 174.7818 150 E 5.0985 8.3883 123.1631 55.9466 30.2090 175.8074 151 Q 4.3993 7.5237 116.8608 53.0491 32.3841 174.8427 152 L 3.4055 7.2884 122.7202 55.3144 42.6918 176.2077 153 T 4.8062 8.9930 114.9048 59.4788 72.4713 174.4223 154 L 3.9125 8.5030 120.8244 58.0287 41.6991 180.1710 155 A 4.0922 7.5478 120.3672 55.0347 18.5923 178.5324 156 D 4.5621 8.2361 116.0200 57.4080 41.1564 178.6900 157 L 4.4040 7.7181 116.3398 55.5471 41.1752 178.5912 *159 F 4.5639 8.2176 122.4464 58.3932 40.7410 176.8970 160 C 3.8636 8.3105 114.1766 60.1526 29.5325 174.6058 161 F 4.8498 7.4304 117.5783 57.6075 39.2026 176.5889 162 S 4.5564 7.4288 115.0418 60.2493 64.2145 176.3322 163 V 3.6359 7.6629 121.2331 65.3059 31.1177 177.6057 164 D 4.3481 7.8851 118.8057 56.7861 39.0223 178.7285 165 L 4.1911 7.9483 120.4008 57.0471 41.6820 179.2568 166 A 4.2322 8.4674 121.0028 55.2073 18.2488 179.2354 167 N 4.6329 8.7839 115.6662 56.6720 38.9489 176.9772 168 A 4.0417 8.2104 122.4012 55.1692 18.4429 179.6604 169 V 3.5984 8.2654 116.9870 66.0558 31.5180 178.2497 170 G 3.8345 8.6970 107.0967 47.3323 0.0000 175.8045 171 K 3.9162 8.0392 120.3437 58.8398 32.1759 179.3751 172 K 4.1506 8.1685 117.7259 58.3394 32.1929 178.5737 173 V 4.1587 8.0139 117.1175 63.5391 32.7687 176.7388 174 L 4.5290 7.6999 114.6627 53.0815 42.7874 175.4457 175 N 4.1625 8.2609 115.8454 54.4728 37.4069 173.5325 176 I 4.2583 7.6268 116.0422 59.1001 40.6849 174.6175 177 D 4.7135 8.0577 124.8368 52.2042 40.5568 176.2791 178 F 4.0264 7.9658 125.3559 60.2399 39.2894 177.8634 179 L 4.2258 8.4383 119.2701 56.5084 41.7735 178.9372 180 A 4.0754 7.8148 121.3181 54.4555 18.3185 177.7443 181 D 5.0373 7.5251 114.1618 53.9662 42.1358 176.9998 182 F 5.0748 8.1141 119.0241 55.2334 39.7482 172.8659 183 P 4.3240 0.0000 0.0000 65.7278 31.5737 178.6370 184 Q 3.8618 8.1148 116.7684 58.8638 28.4183 178.3634 185 A 3.5845 7.0347 122.1607 54.5185 18.3658 179.2082 186 K 3.8033 7.9810 117.9703 59.6878 32.2190 178.8854 187 A 3.9875 8.1434 121.1087 54.9568 18.0495 179.4082 188 L 3.8102 7.6901 118.1072 58.1944 42.2481 178.6693 189 L 4.2639 8.1461 119.5090 58.1489 42.0598 178.4403 190 Q 4.1518 7.7815 118.6370 58.6996 29.2475 178.4040 191 L 4.1194 7.8148 118.9858 55.6536 41.7683 178.6077 *193 G 3.9020 8.0721 107.4129 44.8133 0.0000 174.1082 194 E 4.3364 7.9290 117.2422 56.0590 29.8868 176.1321 195 N 4.3891 8.0333 118.3223 53.1113 39.3196 173.0964 196 P 4.3136 0.0000 0.0000 65.5235 32.5053 176.6550 197 H 4.6044 8.6684 120.2073 54.1797 27.5871 173.9790 *199 P 4.3854 0.0000 0.0000 62.5619 34.0613 179.7438 200 R 3.9120 8.0351 117.3353 59.4377 30.0223 178.4071 201 I 3.7474 7.7300 119.2549 64.5892 37.1709 178.5148 202 L 4.0699 7.9795 119.0341 57.5272 41.4545 179.2545 203 A 4.0165 8.3945 121.1758 55.3417 18.4195 179.3752 204 D 4.3231 8.3478 117.5604 57.2430 40.6291 178.9378 205 K 3.9762 7.9006 119.1855 59.6307 32.3411 178.0464 206 E 4.0699 8.0937 117.8008 59.3829 29.6212 178.4080 207 A 4.1501 8.1636 119.8083 54.2898 19.9039 178.8626 208 S 4.4752 7.8089 116.1113 57.2369 59.8644 173.3335 *210 P 4.3227 0.0000 0.0000 62.5491 33.7203 178.8397 211 A 4.1101 8.1114 119.5195 55.1831 18.4391 179.1211 212 F 4.0516 8.0302 113.9849 59.1273 38.7839 174.8578 *214 E 3.9748 8.1031 117.8031 55.6554 30.7243 177.5761 *216 I 3.7612 7.9549 117.7853 60.8394 38.9066 177.3606 217 R 3.9308 7.9122 117.2761 58.5272 30.1299 176.8366 218 S 4.3118 7.7605 116.0297 58.2284 63.1716 173.7118 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 S 8.33 4.52 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 3 L 8.15 4.96 0.00 1.77 1.63 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 4 K 9.04 5.24 0.00 1.97 1.79 0.00 1.98 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 5 L 9.39 5.12 0.00 1.69 1.67 0.94 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 9.97 4.94 0.00 2.93 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 7 G 7.69 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 0.00 0.00 0.00 0.00 8 F 6.15 4.57 0.00 2.89 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.38 4.38 0.00 4.02 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 10 V 7.49 3.70 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 0.75 0.00 0.00 1.05 0.00 0.00 11 S 7.01 3.96 0.00 2.72 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 12 N 8.65 4.14 0.00 2.94 2.84 0.00 0.00 6.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.98 4.14 0.00 2.95 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 14 Y 8.20 4.19 0.00 2.79 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 15 N 7.84 4.28 0.00 2.01 1.42 0.00 0.00 6.66 7.03 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 *17 V 8.01 3.83 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 0.86 0.00 0.00 0.89 0.00 0.00 18 K 7.81 3.27 0.00 1.33 1.68 0.00 1.81 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.55 7.81 19 L 8.22 3.94 0.00 2.03 1.80 1.03 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.87 3.94 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 21 L 7.78 3.81 0.00 1.03 1.24 -0.05 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.93 4.00 0.00 1.71 1.35 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.39 4.00 0.00 1.98 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 2.31 2.39 0.00 24 K 7.92 4.30 0.00 1.80 1.81 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.50 7.81 25 G 7.74 3.89 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 0.00 0.00 0.00 26 L 7.86 4.49 0.00 1.78 1.66 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.40 4.27 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 28 F 8.06 5.18 0.00 3.02 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 29 E 9.07 4.56 0.00 2.06 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 0.00 2.18 2.22 0.00 30 E 8.66 5.11 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 2.62 2.35 0.00 31 V 8.67 4.22 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.54 0.00 0.00 32 T 8.48 4.39 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 0.92 0.00 0.00 33 F 8.75 4.78 0.00 3.12 3.03 0.00 0.00 0.00 0.00 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0.00 1.51 0.60 0.93 0.00 0.00 67 L 8.38 3.98 0.00 1.80 1.71 0.95 0.95 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 68 D 8.07 4.33 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.24 4.02 0.00 3.12 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 70 I 8.08 3.57 2.00 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 1.54 0.70 0.85 0.00 0.00 71 E 8.08 3.90 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 72 Q 7.80 4.06 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 73 T 7.33 4.27 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 74 Q 7.67 4.48 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 75 G 8.17 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 8.08 4.54 0.00 3.28 3.38 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 0.00 110 A 8.48 4.43 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 0.00 111 E 8.09 4.03 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 112 S 8.08 4.09 0.00 3.41 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.05 4.83 0.00 2.35 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 7.94 4.90 0.00 3.18 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 0.00 115 G 8.07 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *117 S 7.93 4.38 0.00 3.91 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 0.00 118 V 8.64 4.29 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 0.80 0.00 0.00 0.97 0.00 0.00 119 E 8.48 4.12 0.00 2.10 1.86 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 2.41 2.47 0.00 120 P 0.00 4.25 0.00 2.16 2.14 0.00 3.61 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 2.13 2.18 0.00 121 L 7.90 4.01 0.00 1.76 1.67 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.68 3.82 2.03 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 1.65 0.77 0.92 0.00 0.00 123 K 8.13 4.04 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 124 E 8.69 4.00 0.00 1.96 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 2.47 0.00 125 K 8.16 3.94 0.00 1.98 1.97 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.66 7.81 126 A 8.17 4.01 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 0.00 127 R 8.34 3.98 0.00 1.96 2.16 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 128 A 8.03 4.05 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 0.00 129 D 8.46 4.35 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.41 3.97 0.00 1.88 1.26 1.12 0.44 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 0.00 131 L 8.39 4.20 0.00 1.94 1.84 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.14 4.13 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 0.00 133 G 8.44 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.60 4.22 0.00 3.21 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.24 3.98 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 0.00 136 T 8.22 3.83 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 137 L 8.20 4.17 0.00 1.95 2.16 1.13 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.20 4.11 0.00 1.14 1.79 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.33 1.14 7.81 139 R 8.12 4.13 0.00 2.03 2.14 0.00 3.11 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 140 N 8.32 4.76 0.00 2.84 2.97 0.00 0.00 7.19 7.50 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 0.00 141 G 7.86 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 0.00 142 R 8.84 4.20 0.00 1.77 1.99 0.00 3.34 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 143 F 7.52 3.91 0.00 3.34 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 0.00 144 A 8.00 4.84 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.80 0.00 1.87 2.12 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.60 0.00 146 Y 7.34 4.08 0.00 3.16 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.91 2.28 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 0.64 0.00 0.00 0.39 0.00 0.00 148 A 8.47 4.43 1.20 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 0.00 0.00 149 G 6.89 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 0.00 150 E 8.39 5.10 0.00 2.00 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 2.48 2.31 0.00 151 Q 7.52 4.40 0.00 1.86 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 152 L 7.29 3.41 0.00 0.80 1.17 0.86 0.79 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 0.00 153 T 8.99 4.81 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 1.16 0.00 0.00 154 L 8.50 3.91 0.00 1.72 1.78 0.90 0.92 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 0.00 155 A 7.55 4.09 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 0.00 156 D 8.24 4.56 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.72 4.40 0.00 1.88 1.81 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *159 F 8.22 4.56 0.00 3.21 3.21 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 0.00 160 C 8.31 3.86 0.00 2.90 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 7.43 4.85 0.00 2.96 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 0.00 162 S 7.43 4.56 0.00 3.72 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 0.00 163 V 7.66 3.64 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.67 0.00 0.00 164 D 7.89 4.35 0.00 2.88 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 0.00 165 L 7.95 4.19 0.00 2.01 1.94 0.71 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.47 4.23 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 N 8.78 4.63 0.00 3.12 2.91 0.00 0.00 7.07 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 A 8.21 4.04 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 0.00 169 V 8.27 3.60 2.44 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 1.20 0.00 0.00 1.20 0.00 0.00 170 G 8.70 3.83 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 0.00 0.00 0.00 171 K 8.04 3.92 0.00 1.73 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.61 7.81 172 K 8.17 4.15 0.00 1.79 1.83 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.44 7.81 173 V 8.01 4.16 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 0.88 0.00 0.00 0.89 0.00 0.00 174 L 7.70 4.53 0.00 1.72 1.68 1.17 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.26 4.16 0.00 2.78 2.81 0.00 0.00 6.82 7.94 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 0.00 176 I 7.63 4.26 1.05 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 1.02 0.65 0.35 0.00 0.00 177 D 8.06 4.71 0.00 2.55 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 F 7.97 4.03 0.00 2.58 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 8.44 4.23 0.00 1.72 1.70 0.92 0.73 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 0.00 180 A 7.81 4.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 D 7.53 5.04 0.00 2.75 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 0.00 182 F 8.11 5.07 0.00 3.07 2.70 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 0.00 183 P 0.00 4.32 0.00 2.31 2.31 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 184 Q 8.11 3.86 0.00 2.12 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 185 A 7.03 3.58 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 K 7.98 3.80 0.00 1.83 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 187 A 8.14 3.99 1.33 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 0.00 0.00 0.00 188 L 7.69 3.81 0.00 1.68 1.78 0.70 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.15 4.26 0.00 1.86 1.89 0.76 0.65 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 0.00 190 Q 7.78 4.15 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.36 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 191 L 7.81 4.12 0.00 1.82 1.75 0.57 1.09 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 *193 G 8.07 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 E 7.93 4.34 0.00 2.14 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 2.53 2.38 0.00 195 N 8.03 4.39 0.00 2.72 2.78 0.00 0.00 7.09 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.31 0.00 2.06 2.12 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 197 H 8.67 4.60 0.00 3.34 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *199 P 0.00 4.39 0.00 2.23 2.15 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 200 R 8.04 3.91 0.00 1.97 2.15 0.00 3.27 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 201 I 7.73 3.75 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 0.95 0.00 0.00 202 L 7.98 4.07 0.00 1.73 1.74 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 203 A 8.39 4.02 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 0.00 204 D 8.35 4.32 0.00 2.96 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 0.00 205 K 7.90 3.98 0.00 1.86 2.03 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 206 E 8.09 4.07 0.00 2.03 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 2.35 2.35 0.00 207 A 8.16 4.15 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 0.00 208 S 7.81 4.48 0.00 3.99 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 *210 P 0.00 4.32 0.00 2.09 2.16 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 211 A 8.11 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 F 8.03 4.05 0.00 3.01 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 *214 E 8.10 3.97 0.00 2.12 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 2.22 2.32 0.00 *216 I 7.95 3.76 1.46 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.06 0.66 0.00 0.00 217 R 7.91 3.93 0.00 1.81 1.93 0.00 3.14 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 218 S 7.76 4.31 0.00 3.92 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.