NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3454 8.3344 116.7661 58.2601 64.3344 172.1950 5 V 3.8256 8.0377 121.0632 61.2514 32.1700 169.6276 6 V 4.4016 8.9917 127.2867 60.9856 34.3786 174.4015 7 K 4.7427 8.2791 125.2878 54.3072 35.2113 177.3705 8 S 4.1868 8.8212 118.0250 62.0763 62.8521 176.6339 9 E 4.1797 8.1047 117.2062 58.5146 29.4899 176.9370 10 D 4.6836 8.2216 119.5135 54.3588 40.7203 177.7360 11 Y 4.1397 7.5436 119.9729 59.8122 37.7203 177.2380 12 A 4.4198 7.2429 120.2805 52.2920 19.4051 176.6714 13 L 4.6408 7.3907 115.8334 51.9758 43.5632 174.8951 14 P 4.4497 0.0000 0.0000 63.0207 31.7910 175.8204 15 S 4.8145 8.1936 114.1284 56.7400 66.3220 172.4972 16 Y 4.6235 8.3661 121.5512 56.6023 39.8230 175.0836 17 V 4.0448 6.7371 122.6501 60.7304 33.9908 172.8722 18 D 4.4735 8.3958 124.6828 52.9754 40.8160 176.2942 19 R 4.4106 8.1642 120.6571 55.0939 32.1900 176.2885 20 R 3.6644 8.4713 122.8018 59.2886 30.2325 176.7266 21 D 4.8215 7.9887 114.0705 53.4757 40.1068 176.5355 22 Y 4.9117 8.4412 120.0820 55.7393 39.1791 172.5299 23 P 4.3935 0.0000 0.0000 65.1646 31.7630 176.9439 24 L 4.6368 7.1857 119.1147 51.3077 41.7649 174.1104 25 P 4.4504 0.0000 0.0000 62.6384 31.7056 177.6228 26 D 4.7237 8.7693 118.5484 56.0671 41.0136 176.5853 27 V 4.4992 7.3325 116.3939 60.8404 34.8424 174.1210 28 A 4.1695 8.3627 127.9008 51.8105 19.1645 177.1761 29 H 3.6459 8.7192 122.8649 58.2561 29.9502 175.8207 30 V 4.1789 7.3452 118.1384 60.9310 33.0298 174.9429 31 K 4.1448 8.0987 126.4514 57.9771 32.8104 176.8459 32 N 4.6846 7.9034 116.2512 51.9257 39.1315 174.2371 33 L 4.8396 8.2273 123.5588 53.0512 44.0330 177.3195 34 S 4.5341 8.9349 118.1217 56.9641 66.0548 174.8589 35 A 3.9491 8.5083 122.5920 55.8648 17.9242 179.9610 36 S 4.1124 8.0211 111.5326 61.4011 63.0367 176.5733 37 Q 3.9683 7.7481 122.0201 58.7405 28.3620 178.2751 38 K 3.9384 8.3040 118.4768 59.5575 32.4808 178.8814 39 A 4.1310 8.1768 120.9401 54.9376 18.2910 179.4605 40 L 3.9170 7.9633 118.8831 58.3191 42.0229 179.3767 41 K 4.0583 8.3625 117.2822 59.1042 32.2766 178.8727 42 E 4.1742 7.9548 118.8996 59.2656 29.5037 179.2135 43 K 4.0663 7.9762 117.9996 59.3417 31.8883 178.7554 44 E 4.1987 8.1383 119.0330 59.2301 29.5851 178.7345 45 K 4.2098 7.8810 116.8137 60.2387 32.5745 177.4721 46 A 4.3783 7.9939 123.7854 51.5256 20.3182 175.8070 47 S 4.2206 8.4616 109.3087 57.5476 63.3105 176.4088 48 W 4.6739 8.3791 127.4640 59.3571 29.1697 178.3901 49 S 4.2313 7.7395 113.9287 61.3386 62.2537 175.3718 50 S 4.4694 7.9730 112.4472 58.6623 63.3399 174.1676 51 L 4.5257 7.7441 122.6912 54.3888 42.3297 177.5508 52 S 4.5306 9.4233 118.7550 57.6108 65.4292 175.4944 53 I 3.6823 8.2565 123.0562 64.9562 36.8382 178.4348 54 D 4.3723 8.0645 118.9570 57.3102 40.6728 178.5402 55 E 4.0355 7.9280 119.4800 59.0906 29.3515 179.4771 56 K 3.9443 8.2495 118.7708 59.2608 32.0987 179.4846 57 V 3.5847 7.9371 118.5684 66.1447 31.2976 177.4079 58 E 3.9399 8.0276 117.5048 59.4520 29.6202 178.6277 59 L 4.0768 8.0425 118.6855 57.8869 41.2523 178.7384 60 Y 3.9494 8.2077 119.6458 60.9096 38.6453 178.2860 61 R 4.3222 8.6211 116.6392 58.0661 30.4033 178.1927 62 L 4.0358 7.7177 121.1987 57.3048 42.1340 178.3248 63 K 3.6129 7.4928 118.7698 57.1129 32.5095 176.1248 64 F 5.2810 6.6495 115.5940 55.4328 41.6061 175.6945 65 K 3.7767 9.7887 126.8712 58.5515 32.2738 177.0052 66 E 5.0029 7.9129 113.8382 53.4702 32.5729 175.9669 67 S 4.8082 8.5258 117.7684 57.4123 65.3010 175.3875 68 F 3.8787 9.1526 120.4340 60.7199 38.3482 177.7174 69 A 4.0564 8.0796 118.8174 55.3291 18.4034 179.1171 70 E 4.1109 7.8867 116.7863 59.7055 29.3590 179.4811 71 M 4.1545 8.2633 116.4395 57.8284 31.3603 177.2936 72 N 4.7419 8.0737 115.7554 52.0546 39.2585 175.2542 73 R 4.0572 7.1648 121.3929 56.4200 30.7690 176.0155 74 S 4.8290 8.3788 117.8652 56.8810 65.1046 172.8623 75 T 4.7452 8.1386 110.7126 60.3848 71.9486 173.0167 76 N 4.8208 8.3876 115.1767 53.3304 38.9419 176.9089 77 E 3.8946 8.1816 122.1753 59.3185 29.5285 178.6105 78 W 4.3920 8.4923 116.0838 59.7938 27.7459 178.1113 79 K 2.9935 6.3266 118.4178 59.2519 31.3232 179.2550 80 T 3.7555 7.5293 115.1981 66.5599 68.4242 176.5392 81 V 3.6116 7.9905 120.1865 66.1209 31.6180 178.1677 82 V 3.8010 8.5989 118.2968 65.9692 31.4102 178.2360 83 G 3.5605 8.5158 105.6031 47.9090 0.0000 175.6366 84 A 4.0929 8.4432 123.7169 54.4774 18.2866 179.6013 85 A 4.1367 8.2762 119.5634 55.8746 18.5078 179.8673 86 M 4.0866 8.2305 117.2047 58.1758 31.8696 178.8938 87 F 4.0730 8.3162 121.0722 61.4063 39.4765 177.3438 88 F 4.0395 8.2747 117.3610 60.4638 38.4121 177.7984 89 I 3.9600 8.0129 119.2640 63.9886 37.1743 178.3591 90 G 3.6473 8.0913 106.9253 47.7165 0.0000 175.4071 91 F 4.0360 8.0980 123.5316 61.3873 39.2272 177.3127 92 T 3.6326 7.6776 115.1072 66.4755 68.1891 176.3490 93 A 4.0333 7.8342 122.4175 54.8306 18.2407 179.7883 94 L 3.8643 7.6782 117.9726 57.7823 41.6904 179.3256 95 L 3.8014 7.4433 118.4044 57.7473 41.6012 179.3417 96 L 4.0043 7.7705 118.6496 57.9919 41.6130 179.5670 97 I 3.7261 7.8974 119.6271 64.2631 36.9832 178.2442 98 W 4.2989 8.4659 129.3309 60.5465 30.5269 177.8507 99 E 3.8516 8.7160 117.6814 59.0644 27.4460 179.0794 100 K 4.0313 8.0060 120.5371 59.7713 32.1178 178.3763 101 H 4.2439 8.0153 117.1357 58.5591 29.8356 175.8376 102 Y 4.2766 7.7436 116.5863 57.8095 39.1082 176.6085 103 V 3.9723 7.5221 118.5066 63.6570 33.1147 175.4004 104 Y 4.7637 7.1262 117.6413 56.9256 38.3202 176.2157 105 G 3.9207 8.4807 115.2636 44.0900 0.0000 170.5421 106 P 4.4617 0.0000 0.0000 61.7053 32.2992 176.1523 107 I 3.8255 7.8927 114.4522 59.5800 38.5535 173.9138 108 P 4.3664 0.0000 0.0000 63.1061 31.6396 177.0408 109 H 4.2428 8.5320 114.7770 58.3128 28.5234 176.9344 110 T 2.7037 6.9886 107.9295 62.0982 68.2056 174.5982 111 F 4.6205 7.4445 119.3528 57.7322 39.8774 176.6275 112 E 4.3039 7.9558 121.1036 55.7606 31.2487 177.3098 113 E 4.0240 8.8775 121.4195 59.8208 29.5346 179.4009 114 E 3.9046 8.2392 118.3974 59.1220 29.8517 178.2687 115 W 4.0145 8.3479 127.7548 60.8462 30.7186 178.2182 116 V 4.0084 8.4469 112.1107 64.1668 30.9011 178.5255 117 A 4.0592 8.1268 120.9282 54.9614 18.1744 179.8473 118 K 3.7996 8.1861 117.1810 59.6422 32.0620 179.4287 119 Q 3.8901 8.5004 120.1294 59.4058 28.9293 178.4498 120 T 3.9975 8.1926 117.0875 66.2360 68.5048 176.6806 121 K 3.6282 7.9752 121.5949 59.4040 32.2028 178.6147 122 R 3.7939 8.1322 119.3335 59.8458 29.9186 178.1869 123 M 3.9373 8.2760 118.5747 58.5601 32.0478 178.8761 124 L 4.1025 8.2734 119.2764 57.6050 41.3793 179.4167 125 D 4.4070 8.2409 119.0955 57.3049 40.8909 177.7673 126 M 4.2718 8.0220 114.2374 54.2388 32.5572 176.1897 127 K 3.9538 7.6621 116.9361 56.5946 30.2716 176.3333 128 V 3.4786 8.0491 118.6369 63.8418 32.6043 174.7718 129 A 3.8954 8.6932 130.6981 52.8248 15.3248 175.3264 130 P 4.4676 0.0000 0.0000 64.4265 32.5535 178.8845 131 I 4.1499 7.8070 118.7186 63.5850 37.6578 175.6592 132 Q 4.7769 7.9519 115.3488 57.2549 36.3523 176.1188 133 G 3.7401 8.3690 105.8343 48.1011 0.0000 172.7276 134 F 4.6679 7.8717 120.6508 58.8620 42.2340 177.0716 135 S 4.3389 9.5423 117.5848 61.4661 63.1626 176.4273 136 A 4.3637 8.2337 121.0842 53.7632 18.5979 177.5023 137 K 4.8206 8.5507 116.3205 55.6693 33.3924 175.5589 138 W 5.1802 8.1233 128.5818 55.7291 34.1195 174.4726 139 D 4.3966 7.7992 127.0277 52.6599 40.3462 176.2941 140 Y 4.3866 8.4681 124.1971 61.0490 38.4664 178.1192 141 D 4.4800 8.1636 119.0779 57.0766 40.8809 177.4842 142 K 4.1937 7.9085 114.2456 55.2655 32.9146 176.3034 143 N 3.8064 7.5689 115.8205 53.0525 36.5447 173.2428 144 E 4.0161 5.9000 115.0035 54.0367 33.7023 176.2639 145 W 4.5602 8.2997 121.3854 56.9106 29.4842 176.0361 146 K 3.9166 8.4786 126.7145 56.5382 32.5396 176.6600 147 K 3.9944 8.2984 125.7280 57.3898 32.2663 174.2693 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 4 S 8.33 4.35 0.00 3.80 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 5 V 8.04 3.83 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 0.74 0.00 0.00 0.92 0.00 0.00 6 V 8.99 4.40 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 0.92 0.00 0.00 0.97 0.00 0.00 7 K 8.28 4.74 0.00 1.92 1.92 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.36 7.81 8 S 8.82 4.19 0.00 3.93 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 9 E 8.10 4.18 0.00 1.89 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 2.32 2.42 0.00 10 D 8.22 4.68 0.00 2.87 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 11 Y 7.54 4.14 0.00 2.98 3.28 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 12 A 7.24 4.42 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 13 L 7.39 4.64 0.00 1.73 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.45 0.00 2.07 2.04 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 15 S 8.19 4.81 0.00 3.98 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.37 4.62 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 17 V 6.74 4.04 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 0.66 0.00 0.00 0.84 0.00 0.00 18 D 8.40 4.47 0.00 2.63 2.56 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 19 R 8.16 4.41 0.00 1.88 1.91 0.00 2.90 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 20 R 8.47 3.66 0.00 1.83 2.14 0.00 3.34 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 21 D 7.99 4.82 0.00 2.84 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 22 Y 8.44 4.91 0.00 2.74 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 23 P 0.00 4.39 0.00 2.26 2.41 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 24 L 7.19 4.64 0.00 1.50 1.66 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.45 0.00 2.21 2.10 0.00 4.01 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.94 0.00 26 D 8.77 4.72 0.00 2.80 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 27 V 7.33 4.50 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 0.88 0.00 0.00 0.98 0.00 0.00 28 A 8.36 4.17 1.15 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 29 H 8.72 3.65 0.00 2.33 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.35 4.18 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 0.80 0.00 0.00 0.70 0.00 0.00 31 K 8.10 4.14 0.00 1.76 1.80 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.29 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.41 7.81 32 N 7.90 4.68 0.00 2.66 2.73 0.00 0.00 6.79 7.85 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 33 L 8.23 4.84 0.00 1.59 1.54 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.93 4.53 0.00 4.01 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 35 A 8.51 3.95 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 36 S 8.02 4.11 0.00 4.05 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 37 Q 7.75 3.97 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 38 K 8.30 3.94 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.58 7.81 39 A 8.18 4.13 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 40 L 7.96 3.92 0.00 1.96 1.75 0.97 0.37 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 41 K 8.36 4.06 0.00 1.87 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.75 1.61 7.81 42 E 7.95 4.17 0.00 2.27 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 2.59 2.50 0.00 43 K 7.98 4.07 0.00 1.98 1.92 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.68 7.81 44 E 8.14 4.20 0.00 2.03 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 2.62 2.36 0.00 45 K 7.88 4.21 0.00 1.92 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.32 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.75 7.81 46 A 7.99 4.38 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 47 S 8.46 4.22 0.00 3.80 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 48 W 8.38 4.67 0.00 3.50 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.74 4.23 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 50 S 7.97 4.47 0.00 4.03 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 51 L 7.74 4.53 0.00 1.93 1.68 1.01 0.82 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 52 S 9.42 4.53 0.00 4.00 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 53 I 8.26 3.68 1.87 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 1.64 0.55 0.90 0.00 0.00 54 D 8.06 4.37 0.00 2.69 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 55 E 7.93 4.04 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 56 K 8.25 3.94 0.00 1.98 1.82 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.57 7.81 57 V 7.94 3.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 58 E 8.03 3.94 0.00 2.15 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 2.32 2.38 0.00 59 L 8.04 4.08 0.00 2.07 1.68 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.21 3.95 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.62 4.32 0.00 1.83 2.03 0.00 3.49 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 62 L 7.72 4.04 0.00 2.04 1.51 0.89 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.49 3.61 0.00 1.35 0.74 0.00 1.41 0.00 0.00 1.38 0.00 0.00 2.73 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 1.02 7.81 64 F 6.65 5.28 0.00 2.69 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 65 K 9.79 3.78 0.00 1.22 2.23 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.12 7.81 66 E 7.91 5.00 0.00 2.32 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 2.50 2.23 0.00 67 S 8.53 4.81 0.00 4.10 4.13 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 68 F 9.15 3.88 0.00 3.05 3.19 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 69 A 8.08 4.06 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 70 E 7.89 4.11 0.00 2.32 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 2.36 2.36 0.00 71 M 8.26 4.15 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 72 N 8.07 4.74 0.00 2.80 2.90 0.00 0.00 6.96 7.45 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 73 R 7.16 4.06 0.00 1.92 1.95 0.00 3.26 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 74 S 8.38 4.83 0.00 4.06 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.14 4.75 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 76 N 8.39 4.82 0.00 2.68 2.61 0.00 0.00 6.43 7.66 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 77 E 8.18 3.89 0.00 2.07 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 2.35 2.35 0.00 78 W 8.49 4.39 0.00 3.72 3.39 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 79 K 6.33 2.99 0.00 1.41 1.37 0.00 1.28 0.00 0.00 1.25 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.53 3.76 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 1.19 0.00 0.00 81 V 7.99 3.61 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 1.08 0.00 0.00 1.02 0.00 0.00 82 V 8.60 3.80 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 1.09 0.00 0.00 1.25 0.00 0.00 83 G 8.52 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 0.00 0.00 0.00 84 A 8.44 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.28 4.14 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.23 4.09 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 87 F 8.32 4.07 0.00 3.04 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.27 4.04 0.00 3.27 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.01 3.96 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.93 0.00 0.00 90 G 8.09 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.10 4.04 0.00 2.54 3.13 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 92 T 7.68 3.63 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 93 A 7.83 4.03 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 94 L 7.68 3.86 0.00 1.40 1.56 0.95 0.42 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 95 L 7.44 3.80 0.00 1.68 1.58 0.79 0.28 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 96 L 7.77 4.00 0.00 1.88 1.74 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.90 3.73 2.07 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 1.43 0.82 0.96 0.00 0.00 98 W 8.47 4.30 0.00 3.37 3.29 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 99 E 8.72 3.85 0.00 2.21 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.93 0.00 100 K 8.01 4.03 0.00 2.01 2.07 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 101 H 8.02 4.24 0.00 3.10 3.10 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.74 4.28 0.00 1.43 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 0.00 103 V 7.52 3.97 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 0.69 0.00 0.00 0.71 0.00 0.00 104 Y 7.13 4.76 0.00 3.19 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 0.00 105 G 8.48 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 0.00 106 P 0.00 4.46 0.00 2.15 2.01 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 107 I 7.89 3.83 1.46 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.28 0.60 0.00 0.00 108 P 0.00 4.37 0.00 2.07 2.19 0.00 3.74 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 2.57 2.11 0.00 109 H 8.53 4.24 0.00 3.44 3.53 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 6.99 2.70 3.41 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 -0.11 0.00 0.00 111 F 7.44 4.62 0.00 3.15 3.04 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 0.00 112 E 7.96 4.30 0.00 2.18 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 2.39 2.49 0.00 113 E 8.88 4.02 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 114 E 8.24 3.90 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 115 W 8.35 4.01 0.00 3.58 3.14 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 0.00 116 V 8.45 4.01 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 0.83 0.00 0.00 1.09 0.00 0.00 117 A 8.13 4.06 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 0.00 118 K 8.19 3.80 0.00 1.57 1.57 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.35 7.81 119 Q 8.50 3.89 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 120 T 8.19 4.00 4.45 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 1.61 0.00 0.00 121 K 7.98 3.63 0.00 1.77 1.89 0.00 1.34 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.39 7.81 122 R 8.13 3.79 0.00 1.78 1.96 0.00 3.07 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 123 M 8.28 3.94 0.00 1.70 2.16 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.40 0.00 124 L 8.27 4.10 0.00 1.49 1.22 -0.79 0.47 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 0.00 125 D 8.24 4.41 0.00 2.68 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 0.00 126 M 8.02 4.27 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.85 0.00 127 K 7.66 3.95 0.00 1.92 1.94 0.00 1.68 0.00 0.00 1.40 0.00 0.00 2.46 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.37 7.81 128 V 8.05 3.48 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 0.72 0.00 0.00 0.87 0.00 0.00 129 A 8.69 3.90 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.47 0.00 2.27 2.40 0.00 3.83 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 131 I 7.81 4.15 1.92 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 1.46 0.60 0.95 0.00 0.00 132 Q 7.95 4.78 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 133 G 8.37 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.87 4.67 0.00 3.16 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 0.00 135 S 9.54 4.34 0.00 4.12 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 0.00 136 A 8.23 4.36 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 0.00 137 K 8.55 4.82 0.00 1.90 1.87 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.40 7.81 138 W 8.12 5.18 0.00 2.93 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 0.00 139 D 7.80 4.40 0.00 2.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.47 4.39 0.00 3.12 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 0.00 141 D 8.16 4.48 0.00 2.81 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 0.00 142 K 7.91 4.19 0.00 1.51 1.67 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.34 7.81 143 N 7.57 3.81 0.00 2.77 2.81 0.00 0.00 6.68 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 5.90 4.02 0.00 1.74 1.69 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 1.98 1.99 0.00 145 W 8.30 4.56 0.00 3.20 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 0.00 146 K 8.48 3.92 0.00 1.73 1.79 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.36 7.81 147 K 8.30 3.99 0.00 1.70 1.59 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.17 1.32 7.81