NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3855 8.3044 120.3256 55.7715 32.6943 174.7050 2 H 4.4936 8.0973 126.0099 53.7430 28.8802 172.1581 3 L 4.5222 7.2287 120.3073 53.3211 43.5694 177.5585 4 T 4.0321 8.9414 115.7290 60.5821 70.8227 173.4251 5 P 4.1789 0.0000 0.0000 66.1065 31.0806 178.8049 6 E 3.9808 8.0883 115.3408 59.2255 29.5308 178.8132 7 E 3.9435 7.6694 118.6620 58.9596 29.5560 178.9676 8 K 3.9083 8.3206 120.3654 59.2377 32.1599 179.1289 9 S 4.1367 8.3008 114.6871 61.2260 62.8765 176.3905 10 A 3.9952 7.7008 124.1661 54.7376 18.0345 179.8378 11 V 3.2630 7.6390 116.7669 66.3627 31.3670 178.4537 12 T 3.9252 7.4773 113.4801 66.5183 68.4581 176.2350 13 A 4.1780 8.3944 123.0667 55.1819 18.4137 179.5153 14 L 3.7775 7.7971 119.0082 57.9688 41.8444 178.8577 15 W 4.5029 8.8435 128.3149 60.0731 30.3160 178.0675 16 G 3.6959 7.7518 105.3617 47.4398 0.0000 175.0851 17 K 4.3204 8.1354 118.6475 56.1639 32.9026 177.4283 18 V 3.6629 6.7461 119.4522 62.4864 32.0794 176.1122 19 N 4.6295 8.1358 124.9011 51.8879 38.3541 175.3898 20 V 3.6360 7.9913 120.8695 64.1174 31.6629 177.3733 21 D 4.3644 7.8515 117.9447 57.5178 40.7646 178.5229 22 E 3.8984 8.1899 118.7179 59.4737 29.7588 178.8510 23 V 3.5717 8.1931 118.7859 65.7417 31.6166 178.1766 24 G 3.7091 8.3105 105.7627 47.7919 0.0000 175.9606 25 G 3.5904 7.8074 108.6197 47.4065 0.0000 175.7283 26 E 3.9124 8.1233 120.8838 58.9639 29.4947 179.3467 27 A 3.9150 8.1685 121.0203 55.0234 18.5601 179.4854 28 L 3.9480 7.8444 118.7121 58.1410 42.1712 179.1255 29 G 3.6330 8.1844 105.8248 48.1996 0.0000 175.7139 30 R 3.9042 8.2399 121.5071 58.5057 29.9876 178.9956 31 L 4.0058 7.8381 120.1407 58.2991 42.2118 179.1708 32 L 4.0471 7.8711 118.5183 57.1185 41.1943 179.6287 33 V 3.6002 7.0914 117.2681 65.6532 31.8365 177.9817 34 V 3.4837 7.7749 116.8530 64.4099 32.7119 175.5788 35 Y 3.8507 7.1111 116.2433 53.9839 37.8262 174.1027 36 P 4.7280 0.0000 0.0000 64.4316 31.6294 178.4457 37 W 4.3641 8.0081 116.6758 59.5002 27.6510 177.7434 38 T 4.2167 7.8242 110.2414 63.7315 68.2218 175.7634 39 Q 4.4706 8.0802 121.3103 57.5209 28.5430 177.8793 40 R 3.7822 7.5571 117.2113 58.7493 29.2799 177.9537 41 F 4.2407 6.9528 115.1724 57.4650 39.9875 175.7175 42 F 4.5901 7.4859 118.6630 56.6254 39.2789 176.6227 43 E 4.2229 8.2343 118.3839 58.0257 29.9752 177.3361 44 S 4.6852 7.9523 113.0481 58.5343 63.6330 174.6303 45 F 4.6625 8.2754 119.4806 58.4780 40.0069 176.9950 46 G 3.9625 8.0914 106.7176 44.6617 0.0000 174.6323 47 D 4.4654 8.6221 126.3378 54.4615 39.4869 175.4667 48 L 4.8685 8.3796 125.6417 54.3003 43.0353 178.8085 49 S 4.4111 8.1313 116.4805 61.0079 63.0804 174.5303 50 T 4.7322 7.3499 109.1155 58.2221 73.1344 172.8571 51 P 4.2079 0.0000 0.0000 66.0338 31.2973 178.7603 52 D 4.3542 8.0493 116.8106 57.2663 40.6070 178.4796 53 A 4.0292 7.6940 119.9682 54.8751 18.4519 179.6964 54 V 3.7211 7.7329 116.8087 66.4120 31.5984 178.2048 55 M 3.9889 8.3474 117.6256 57.8614 31.9190 177.7660 56 G 3.8111 7.8414 105.2203 45.6169 0.0000 173.8367 57 N 4.2525 7.7353 120.1200 53.3171 39.7737 173.3136 58 P 4.2204 0.0000 0.0000 66.1198 31.2761 178.6377 59 K 3.6392 8.1778 118.1355 58.9710 31.7633 179.5413 60 V 3.6998 7.6608 118.1684 65.7281 31.6635 178.1497 61 K 3.9285 7.9983 118.1333 59.3968 31.8312 179.2512 62 A 3.9804 7.8389 120.9962 55.3092 18.1944 179.2400 63 H 4.2697 8.3711 116.9514 59.3392 29.9551 177.5316 64 G 3.7079 8.5008 108.0621 47.9387 0.0000 175.4780 65 K 3.9758 8.0021 121.6084 58.8881 32.1914 178.8234 66 K 3.8978 7.8961 119.7261 59.4757 32.2434 178.6804 67 V 3.6595 7.9692 118.7014 66.4032 31.4293 178.1344 68 L 4.3737 8.3809 118.3983 57.1992 41.4663 179.7785 69 G 3.6774 8.1672 106.0371 47.9005 0.0000 175.6009 70 A 4.1369 8.2180 124.1087 54.6228 18.5337 179.4710 71 F 4.2540 8.5189 119.1356 61.6998 39.2956 177.4998 72 S 4.2111 8.7042 114.0288 61.8793 62.9832 176.1416 73 D 4.6009 8.2984 121.4960 57.2453 40.4815 179.0473 74 G 3.4936 7.8535 106.0017 47.6564 0.0000 175.3845 75 L 3.9027 7.3050 118.6355 55.9380 41.6382 178.0678 76 A 4.4801 7.3945 119.4123 51.9387 20.0563 176.2658 77 H 4.8821 7.8587 115.4114 54.7244 29.9394 175.4626 78 L 4.0102 8.0725 120.2355 57.3353 41.8860 178.5551 79 D 4.4266 7.9221 117.4004 56.2914 42.0799 175.7829 80 N 4.9916 8.3161 116.7853 51.2060 39.0794 174.4147 81 L 4.0013 7.8104 123.0166 57.5780 42.1708 179.0369 82 K 3.8970 8.0656 117.0250 59.4039 32.2828 179.1273 83 G 3.6746 7.8862 105.7267 48.1089 0.0000 175.5434 84 T 3.6310 7.5315 117.5720 66.0822 68.8195 175.7833 85 F 4.6884 8.4611 117.0002 57.3535 39.1577 177.5331 86 A 4.1561 7.8412 122.9056 55.6632 18.2665 180.3306 87 T 3.9039 7.8802 107.7459 64.6535 68.8257 176.4800 88 L 4.0324 7.9186 122.8639 57.9535 42.3639 178.4523 89 S 4.4078 8.5770 114.8436 61.0006 62.2457 176.0869 90 E 3.8791 8.1370 120.9874 59.1817 29.0975 179.1279 91 L 3.9011 8.0020 120.3031 58.5959 42.1356 178.7292 92 H 4.1205 8.6165 116.4967 59.5941 28.1841 176.6244 93 C 3.6088 7.7870 120.7913 61.9775 30.9547 175.2197 94 D 4.3275 8.5569 123.0185 56.4273 40.7560 177.5396 95 K 4.2860 7.9914 117.3250 57.8499 33.5059 177.7309 96 L 4.0462 7.7216 116.4532 55.4311 42.3425 176.3398 97 H 4.1865 7.6979 113.3459 55.6220 25.8946 175.4332 98 V 3.7539 7.9854 118.7015 60.9432 32.2494 174.8419 99 D 4.3088 8.7737 127.4802 53.9033 41.5949 175.2623 100 P 3.2923 0.0000 0.0000 64.8084 31.8108 177.9817 101 E 3.8892 8.1208 118.8089 59.1658 29.3023 178.3879 102 N 4.2485 7.9340 116.6832 56.3621 38.4816 177.2529 103 F 4.4946 7.3769 119.0239 60.6025 38.9377 177.9675 104 R 4.0455 7.8055 117.3804 58.8682 30.0268 178.7234 105 L 3.7748 7.8852 118.8752 57.7797 41.6547 179.2663 106 L 4.1070 8.1003 120.2741 58.1267 41.9547 179.2496 107 G 3.6941 7.9241 105.3107 47.9060 0.0000 175.4972 108 N 4.4418 8.2105 118.9972 55.9198 38.4720 177.7109 109 V 3.6026 7.9241 119.6803 65.9039 31.5785 177.6716 110 L 3.8470 8.3954 120.4033 58.2537 41.8652 179.0317 111 V 3.5419 7.9207 117.9840 66.3749 31.3663 177.8163 112 C 4.1382 8.1586 116.3721 62.6090 27.9234 176.2835 113 V 3.5098 7.8832 120.1960 66.0306 31.0554 178.1597 114 L 3.8794 7.9400 118.7925 57.4574 41.2648 179.4575 115 A 3.6989 7.2813 120.7986 55.1507 18.1100 178.9069 116 H 4.0414 8.1236 115.9505 59.9246 29.9481 176.9055 117 H 4.0117 7.9905 116.2114 58.5804 28.9871 177.2068 118 F 4.4917 8.5620 117.7713 56.9200 39.4938 177.3288 119 G 3.7484 8.6771 109.4714 45.9436 0.0000 177.1449 120 K 3.9752 8.8939 122.1708 59.1913 32.3435 177.7988 121 E 4.1139 8.3371 120.0425 58.4508 29.9513 176.9788 122 F 4.5791 8.1644 123.1365 56.8744 37.9313 175.5412 123 T 4.1504 7.4682 115.4101 60.1428 71.2431 173.3423 124 P 4.1741 0.0000 0.0000 65.8116 31.2717 177.2474 125 P 4.2664 0.0000 0.0000 65.2863 31.2326 178.8828 126 V 3.5559 7.1865 116.1083 65.5540 31.4073 177.8795 127 Q 3.4979 8.0355 119.6130 58.9844 29.0399 177.9848 128 A 4.0656 8.0122 121.5321 55.0961 18.3172 179.5425 129 A 3.8543 7.7406 119.1890 55.7091 18.4717 179.5340 130 Y 3.9798 8.1615 115.1895 61.1650 37.8313 178.9501 131 Q 4.1213 8.8287 119.4685 59.0660 28.8246 179.0431 132 K 4.0004 7.9693 119.0063 59.3247 31.9486 179.6803 133 V 3.4804 7.6776 118.4903 66.1906 31.4371 178.6316 134 V 3.8108 8.3463 112.3085 64.1857 31.2350 178.5784 135 A 4.0857 8.0170 120.5325 55.0793 18.2155 179.7735 136 G 3.5742 8.1956 104.4150 48.0291 0.0000 176.0474 137 V 3.3297 8.0846 120.8529 65.4861 31.3036 177.9056 138 A 3.9047 8.0139 119.7087 55.2682 18.3690 179.0468 139 N 4.4223 8.5221 115.0790 56.4514 38.2025 177.5562 140 A 4.0338 8.1821 122.3482 55.1012 17.9684 179.5314 141 L 3.8843 8.1404 116.9480 56.5723 41.6046 178.3552 142 A 4.6989 7.6402 119.8684 52.5654 19.3815 178.2698 143 H 4.2595 7.9710 113.1328 58.1310 28.4401 176.2704 144 K 4.3470 7.8608 118.3454 56.1639 32.1496 176.3876 145 Y 4.2237 8.1368 117.7265 58.4467 38.4820 175.5551 146 H 4.4110 8.3720 116.9299 56.3489 28.0517 173.5348 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.39 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 2 H 8.10 4.49 0.00 3.15 3.21 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.23 4.52 0.00 1.56 1.51 0.84 0.83 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 4 T 8.94 4.03 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 5 P 0.00 4.18 0.00 2.14 2.13 0.00 3.55 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 2.09 2.13 0.00 6 E 8.09 3.98 0.00 2.13 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 2.32 0.00 7 E 7.67 3.94 0.00 2.26 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 2.27 2.25 0.00 8 K 8.32 3.91 0.00 1.72 2.02 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 9 S 8.30 4.14 0.00 4.08 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 10 A 7.70 4.00 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 11 V 7.64 3.26 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.43 0.00 0.00 12 T 7.48 3.93 4.56 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 1.23 0.00 0.00 13 A 8.39 4.18 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 L 7.80 3.78 0.00 1.80 1.93 0.49 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.84 4.50 0.00 3.83 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 16 G 7.75 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.14 4.32 0.00 2.12 2.14 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.64 7.81 18 V 6.75 3.66 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 -0.02 0.00 0.00 0.61 0.00 0.00 19 N 8.14 4.63 0.00 2.71 2.61 0.00 0.00 7.16 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 20 V 7.99 3.64 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 0.79 0.00 0.00 1.03 0.00 0.00 21 D 7.85 4.36 0.00 2.88 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 22 E 8.19 3.90 0.00 1.99 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 2.36 2.34 0.00 23 V 8.19 3.57 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 0.91 0.00 0.00 0.67 0.00 0.00 24 G 8.31 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 25 G 7.81 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.12 3.91 0.00 2.22 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 2.31 2.48 0.00 27 A 8.17 3.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.84 3.95 0.00 1.86 1.64 0.94 0.98 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 29 G 8.18 3.63 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 0.00 0.00 0.00 30 R 8.24 3.90 0.00 1.91 1.94 0.00 3.07 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 31 L 7.84 4.01 0.00 1.88 1.86 1.02 0.76 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 32 L 7.87 4.05 0.00 1.86 1.70 0.71 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.09 3.60 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.90 0.00 0.00 34 V 7.77 3.48 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 0.02 0.00 0.00 0.78 0.00 0.00 35 Y 7.11 3.85 0.00 2.44 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.73 0.00 2.32 2.32 0.00 3.78 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 2.20 1.90 0.00 37 W 8.01 4.36 0.00 3.55 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 38 T 7.82 4.22 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 1.02 0.00 0.00 39 Q 8.08 4.47 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 40 R 7.56 3.78 0.00 1.55 1.88 0.00 3.02 0.00 0.00 2.77 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 41 F 6.95 4.24 0.00 1.64 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 42 F 7.49 4.59 0.00 2.88 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 0.00 0.00 0.00 43 E 8.23 4.22 0.00 2.09 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 2.24 2.30 0.00 44 S 7.95 4.69 0.00 4.12 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 45 F 8.28 4.66 0.00 3.21 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 46 G 8.09 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 0.00 0.00 0.00 47 D 8.62 4.47 0.00 2.67 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 48 L 8.38 4.87 0.00 1.73 1.62 1.01 0.92 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 49 S 8.13 4.41 0.00 3.95 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 50 T 7.35 4.73 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 P 0.00 4.21 0.00 2.15 2.11 0.00 3.58 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 2.09 2.16 0.00 52 D 8.05 4.35 0.00 2.67 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 53 A 7.69 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.73 3.72 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.02 0.00 0.00 55 M 8.35 3.99 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 56 G 7.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.74 4.25 0.00 3.02 2.86 0.00 0.00 6.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.22 0.00 2.24 2.26 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 59 K 8.18 3.64 0.00 1.57 0.74 0.00 1.72 0.00 0.00 1.32 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.15 1.24 7.81 60 V 7.66 3.70 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 1.12 0.00 0.00 1.06 0.00 0.00 61 K 8.00 3.93 0.00 1.97 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.65 7.81 62 A 7.84 3.98 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 63 H 8.37 4.27 0.00 3.51 3.49 0.00 5.80 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 64 G 8.50 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 65 K 8.00 3.98 0.00 1.88 2.07 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.64 7.81 66 K 7.90 3.90 0.00 2.02 1.96 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.50 7.81 67 V 7.97 3.66 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 1.03 0.00 0.00 0.94 0.00 0.00 68 L 8.38 4.37 0.00 2.01 1.86 1.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.17 3.68 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 0.00 0.00 0.00 70 A 8.22 4.14 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.52 4.25 0.00 3.33 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.70 4.21 0.00 4.18 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 73 D 8.30 4.60 0.00 2.94 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 74 G 7.85 3.49 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 0.00 75 L 7.30 3.90 0.00 1.60 1.42 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.39 4.48 1.13 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 0.00 0.00 0.00 0.00 0.00 77 H 7.86 4.88 0.00 3.08 3.14 0.00 5.83 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.07 4.01 0.00 1.50 1.65 0.76 0.98 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 79 D 7.92 4.43 0.00 2.59 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.32 4.99 0.00 2.70 2.56 0.00 0.00 7.16 6.26 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 81 L 7.81 4.00 0.00 1.75 1.83 0.87 0.99 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 82 K 8.07 3.90 0.00 1.63 1.60 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.47 7.81 83 G 7.89 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 84 T 7.53 3.63 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 0.47 0.00 0.00 85 F 8.46 4.69 0.00 3.22 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 86 A 7.84 4.16 1.48 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 87 T 7.88 3.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 88 L 7.92 4.03 0.00 1.93 1.95 1.03 1.08 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 89 S 8.58 4.41 0.00 4.17 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.14 3.88 0.00 2.25 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 2.30 2.52 0.00 91 L 8.00 3.90 0.00 1.88 1.84 0.92 0.89 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 92 H 8.62 4.12 0.00 3.59 3.80 0.00 5.86 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 93 C 7.79 3.61 0.00 1.29 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.56 4.33 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.99 4.29 0.00 1.76 1.78 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.39 7.81 96 L 7.72 4.05 0.00 1.69 1.61 0.67 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.70 4.19 0.00 3.41 3.43 0.00 5.74 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.99 3.75 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 0.11 0.00 0.00 0.37 0.00 0.00 99 D 8.77 4.31 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.29 0.00 1.94 1.83 0.00 3.37 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.46 0.00 101 E 8.12 3.89 0.00 2.05 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 2.39 0.00 102 N 7.93 4.25 0.00 2.48 2.66 0.00 0.00 6.90 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 0.00 103 F 7.38 4.49 0.00 3.09 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 0.00 104 R 7.81 4.05 0.00 1.84 1.98 0.00 3.12 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 105 L 7.89 3.77 0.00 1.68 1.32 0.55 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.10 4.11 0.00 1.82 1.74 0.93 0.94 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 0.00 107 G 7.92 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.21 4.44 0.00 2.94 2.95 0.00 0.00 6.67 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.92 3.60 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 1.14 0.00 0.00 1.15 0.00 0.00 110 L 8.40 3.85 0.00 1.68 1.79 0.87 0.51 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 0.00 111 V 7.92 3.54 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 1.30 0.00 0.00 1.19 0.00 0.00 112 C 8.16 4.14 0.00 3.18 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 0.00 113 V 7.88 3.51 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 0.93 0.00 0.00 114 L 7.94 3.88 0.00 0.90 1.00 0.61 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.28 3.70 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 0.00 116 H 8.12 4.04 0.00 3.20 3.56 0.00 5.77 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 0.00 117 H 7.99 4.01 0.00 2.83 2.67 0.00 5.72 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 0.00 118 F 8.56 4.49 0.00 3.35 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 0.00 119 G 8.68 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.89 3.98 0.00 1.92 2.02 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.42 7.81 121 E 8.34 4.11 0.00 2.32 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 0.00 2.39 2.34 0.00 122 F 8.16 4.58 0.00 3.08 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 0.00 123 T 7.47 4.15 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 124 P 0.00 4.17 0.00 2.16 2.17 0.00 3.59 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 2.13 2.22 0.00 125 P 0.00 4.27 0.00 2.11 2.06 0.00 3.46 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 2.08 2.11 0.00 126 V 7.19 3.56 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 0.83 0.00 0.00 0.89 0.00 0.00 127 Q 8.04 3.50 0.00 1.84 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 128 A 8.01 4.07 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 0.00 129 A 7.74 3.85 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 0.00 130 Y 8.16 3.98 0.00 3.44 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.83 4.12 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 132 K 7.97 4.00 0.00 2.00 1.83 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.57 7.81 133 V 7.68 3.48 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 0.93 0.00 0.00 0.74 0.00 0.00 134 V 8.35 3.81 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 1.12 0.00 0.00 135 A 8.02 4.09 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 G 8.20 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.08 3.33 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.62 0.00 0.00 138 A 8.01 3.90 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.52 4.42 0.00 2.91 2.88 0.00 0.00 6.92 6.91 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 0.00 140 A 8.18 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.14 3.88 0.00 1.06 0.48 0.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.64 4.70 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 0.00 143 H 7.97 4.26 0.00 3.36 3.68 0.00 5.75 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 0.00 144 K 7.86 4.35 0.00 1.73 1.82 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.86 1.62 7.81 145 Y 8.14 4.22 0.00 3.10 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 0.00 146 H 8.37 4.41 0.00 3.22 3.24 0.00 5.75 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