NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4235 8.1933 115.2887 58.4484 63.2688 173.8573 2 M 4.0529 8.6792 117.2805 57.6320 31.9579 176.1283 3 Q 4.1368 8.2178 117.4321 58.1223 30.2807 175.5697 4 D 4.7780 7.9416 117.4908 50.9317 40.9896 173.7506 5 P 4.4161 0.0000 0.0000 64.5199 31.9452 178.7418 6 I 3.6819 7.6158 119.8262 64.4375 37.1621 177.8758 7 A 3.9767 8.0303 121.1597 55.0865 18.2555 178.7952 8 D 4.2601 7.9549 116.3267 58.3102 41.0449 177.6006 9 M 4.1113 7.8523 119.2680 58.0936 32.1504 177.8787 10 L 3.9158 8.2385 119.2943 58.0230 42.0203 179.6334 11 T 3.9556 8.1586 113.1963 64.5411 67.1123 176.5689 12 R 3.8651 7.8435 120.0417 59.3919 30.3523 178.1354 13 I 3.8450 7.9765 119.8223 64.4690 37.0788 178.0714 14 R 3.8962 7.9331 119.3632 59.8294 29.8729 178.1179 15 N 4.6598 8.8664 115.4022 55.0488 38.2102 177.6267 16 G 3.6137 8.0540 107.7673 47.9125 0.0000 175.4327 17 Q 4.1255 8.2460 120.7318 58.7008 28.4291 179.3294 18 A 4.1037 7.8445 120.2543 54.3839 18.4334 178.4324 19 A 4.5294 7.9373 117.5813 51.6196 21.2363 177.7167 20 N 4.0412 7.8321 114.1186 55.4965 36.1574 173.9569 21 K 4.3027 9.6579 120.3400 54.9984 34.8827 175.1591 22 A 5.1053 8.6635 128.6016 52.2235 19.5039 175.8844 23 A 5.1855 7.9379 118.9950 51.9560 22.7825 176.9432 24 V 4.6254 8.5500 119.3313 61.3901 35.3780 174.1189 25 T 5.3155 8.1181 116.9401 60.1718 71.4354 173.0621 26 M 4.3968 8.3818 117.7126 53.9022 34.7460 172.5160 27 P 4.8013 0.0000 0.0000 63.1980 32.1580 176.0929 28 S 4.6057 8.4617 118.3800 57.9809 64.0616 173.3855 29 S 4.5686 8.2363 116.1242 55.6609 64.9932 175.0642 30 K 3.8986 8.8807 127.1138 59.0581 31.7097 178.5331 31 L 4.2085 7.6765 119.7937 57.1008 42.7493 178.1854 32 K 3.9141 7.9270 117.7580 59.5054 31.8491 178.3930 33 V 3.5205 7.9944 119.1506 64.7475 31.2588 177.8172 34 A 3.8607 7.5845 120.1423 55.6131 18.6628 179.3696 35 I 3.6992 8.0977 118.1993 63.9100 37.1466 178.2778 36 A 3.9196 7.9837 121.0351 55.7480 17.9593 179.1028 37 N 4.0338 7.8357 115.2632 56.9531 39.1226 176.9863 38 V 3.6760 8.0659 119.5316 66.1294 31.7357 177.7905 39 L 4.0034 8.0376 118.2238 57.8810 41.2558 179.2653 40 K 4.4437 8.4202 121.2514 58.6576 32.1872 178.1263 41 E 4.3105 9.2483 117.1798 57.5031 29.5099 176.5945 42 E 4.6682 7.8305 114.9370 56.1040 31.0980 175.6442 43 G 3.7477 8.8442 106.9055 47.0896 0.0000 174.9680 44 F 4.5258 8.8124 119.4614 57.0701 40.7116 176.6244 45 I 4.7345 7.4292 113.2842 58.6634 40.4771 175.1000 46 E 3.9502 8.5996 125.5219 58.0232 29.8479 176.7591 47 D 4.4680 7.3786 114.3738 52.3360 41.4103 176.5574 48 F 4.9964 8.6971 115.8483 57.8537 39.6129 173.8576 49 K 4.3837 8.2267 117.5545 56.6244 35.7603 174.5048 50 V 4.3098 8.8601 125.5996 60.3649 31.3969 174.4589 51 E 4.5105 8.6050 127.9632 54.7575 29.7360 174.1744 52 G 3.7291 7.9038 106.2740 46.3378 0.0000 169.1518 53 D 4.4839 9.3437 126.0400 54.6739 41.0396 176.4695 54 T 4.3828 7.9983 120.5183 62.4544 69.4351 174.9224 55 K 4.6225 7.4754 118.5763 53.8390 32.5522 173.3574 56 P 4.1236 0.0000 0.0000 62.6679 33.1870 175.7519 57 E 4.9250 8.5310 124.8684 54.1215 32.0088 174.4138 58 L 4.6218 9.3728 131.0281 54.7789 43.3655 175.0833 59 E 5.6504 9.4169 126.7736 53.5432 32.5470 174.0628 60 L 5.0236 8.5515 126.8310 53.3989 44.4680 175.4942 61 T 4.7099 8.4858 121.1423 62.7425 69.7231 174.9277 62 L 4.7062 8.4359 126.9566 54.1565 43.2843 176.4207 63 K 4.6673 8.2762 118.7886 54.9584 35.3685 175.0788 64 Y 4.7981 8.8395 122.4963 56.2727 41.5016 173.5175 65 F 5.5217 8.2140 127.7010 57.7568 39.3751 178.2807 66 Q 3.9071 9.0759 119.5320 56.7953 26.8983 176.9958 67 G 3.7514 9.3339 111.6638 48.1091 0.0000 174.7767 68 K 4.4451 7.7073 118.8389 54.5305 33.9966 176.5037 69 A 4.4267 8.1526 122.8440 52.3725 19.4511 176.6072 70 V 3.9246 7.3324 111.0016 64.9555 32.5286 178.5849 71 V 4.0484 7.4511 120.5743 62.3220 29.3597 174.4789 72 E 4.1520 8.6172 126.1048 58.4166 30.0960 177.1609 73 S 4.7435 7.5976 110.6619 57.3943 66.5351 172.9626 74 I 4.6107 8.1999 121.1814 60.1354 40.3262 173.8695 75 Q 4.7711 9.1085 128.3375 54.0623 32.6177 174.7928 76 R 4.5326 8.3640 121.7392 55.5581 31.2425 174.7958 77 V 3.6476 8.4336 130.9456 63.3929 31.3595 177.1976 78 S 4.0316 6.1284 120.7409 58.2690 62.6309 172.7632 79 R 4.6666 8.2906 123.2706 52.8620 32.0312 175.4333 80 P 4.1967 0.0000 0.0000 66.1426 31.0671 177.9724 81 G 3.6678 8.1185 106.4958 47.3850 0.0000 173.0981 82 L 4.5670 7.6180 122.5212 52.0359 42.3554 174.9377 83 R 4.0090 8.1707 121.9256 56.0493 30.9488 176.3318 84 I 4.5066 7.0857 120.5419 59.8642 41.6982 173.8071 85 Y 5.0804 8.2969 121.6712 56.6787 41.8677 174.3592 86 K 4.4168 9.3037 123.1878 55.9497 35.1120 175.5976 87 R 4.0238 9.0177 123.1628 57.1870 29.6247 177.6184 88 K 4.6783 8.7916 120.9056 58.9658 40.3500 178.8465 89 D 4.3273 8.0910 118.5890 56.1692 40.8454 176.9185 90 E 4.2132 8.1323 117.5016 56.6299 30.0843 176.3761 91 L 4.0631 7.7049 119.5367 55.0583 42.0185 175.3526 92 P 4.6203 0.0000 0.0000 61.6921 32.6430 175.6010 93 K 4.8322 8.0606 116.7001 53.5687 34.3311 176.4043 94 V 3.4180 8.3608 123.8907 64.0642 32.7146 175.4847 95 M 3.2195 9.3773 123.1247 59.3837 29.3304 177.0395 96 A 3.9079 8.3251 114.1772 53.4523 16.8849 177.2906 97 G 3.8582 7.5045 112.6441 46.6430 0.0000 175.1393 98 L 4.5891 8.3948 120.0962 53.6169 43.6555 175.4076 99 G 4.0332 8.8081 114.5914 45.2840 0.0000 172.0471 100 I 4.7566 8.6387 111.8279 59.3053 42.1388 173.6658 101 A 4.9786 8.6004 123.2341 49.9640 20.8304 176.0308 102 V 3.8033 8.3160 122.8491 64.6437 31.3340 176.0135 103 V 4.3739 7.7378 126.2700 62.5870 34.4298 175.1543 104 S 4.6026 8.0232 112.3323 59.1852 65.5780 177.0997 105 T 5.0022 8.9707 117.2809 59.0933 71.8758 173.7710 106 S 4.2060 8.7622 115.9633 60.9624 62.6089 175.2148 107 K 4.2730 7.5493 120.6170 53.2855 31.1614 176.4128 108 G 3.8187 8.4419 109.8771 44.2266 0.0000 169.9072 109 V 4.4360 7.7119 114.9493 61.1296 31.5788 176.0718 110 M 4.5641 7.8120 126.5868 54.1580 34.2239 175.1841 111 T 4.6118 8.0303 110.2504 60.4542 73.0601 174.4343 112 D 4.1366 8.2874 122.3531 56.7350 37.6052 178.8787 113 R 3.9079 7.9964 119.3811 58.6639 30.2844 178.0553 114 A 4.1727 8.2498 120.9311 54.8009 18.6566 179.1328 115 A 4.1528 8.7546 118.7292 54.0056 18.3411 179.5960 116 R 3.9197 7.5602 117.5064 59.1959 30.1047 178.2640 117 Q 4.1452 7.4619 115.2544 58.0098 29.0322 177.0690 118 A 4.0906 7.8351 119.6205 52.6803 18.7053 177.6955 119 G 3.9804 7.8735 102.4528 46.3362 0.0000 173.6952 120 L 4.4750 8.1029 121.8218 55.6248 41.7917 175.0645 121 G 4.6450 7.6190 107.9102 46.1185 0.0000 172.6408 122 G 4.5140 6.9419 111.9112 47.1317 0.0000 175.9944 123 E 5.1239 9.5822 132.9266 53.7024 29.9753 174.7538 124 I 3.7600 8.1981 122.1834 61.1483 37.7847 176.7921 125 I 3.7398 8.6715 130.2981 64.0945 38.0106 175.9874 126 C 4.8197 7.4561 113.6944 57.6441 32.6494 171.9311 127 Y 5.3391 8.2659 117.6732 56.7140 40.2754 175.1756 128 V 4.8657 8.5202 121.6724 61.4343 36.0033 174.4569 129 A 4.3998 8.2597 126.3050 52.9527 20.1665 176.1074 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 S 8.19 4.42 0.00 3.87 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 2 M 8.68 4.05 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 3 Q 8.22 4.14 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.24 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 4 D 7.94 4.78 0.00 2.64 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 5 P 0.00 4.42 0.00 2.29 2.28 0.00 3.80 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 6 I 7.62 3.68 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.32 0.86 0.00 0.00 7 A 8.03 3.98 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 8 D 7.95 4.26 0.00 2.86 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 9 M 7.85 4.11 0.00 2.22 1.94 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 10 L 8.24 3.92 0.00 1.74 1.69 0.86 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.16 3.96 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 1.25 0.00 0.00 12 R 7.84 3.87 0.00 2.23 1.99 0.00 3.45 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 13 I 7.98 3.84 2.06 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 0.66 0.92 0.00 0.00 14 R 7.93 3.90 0.00 1.95 2.04 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 15 N 8.87 4.66 0.00 2.82 2.87 0.00 0.00 7.00 7.46 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 16 G 8.05 3.61 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 0.00 17 Q 8.25 4.13 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.59 2.33 0.00 18 A 7.84 4.10 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 19 A 7.94 4.53 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 20 N 7.83 4.04 0.00 2.73 2.72 0.00 0.00 6.53 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 9.66 4.30 0.00 1.85 1.70 0.00 1.66 0.00 0.00 1.92 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.55 7.81 22 A 8.66 5.11 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 23 A 7.94 5.19 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 24 V 8.55 4.63 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 1.01 0.00 0.00 0.97 0.00 0.00 25 T 8.12 5.32 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 1.23 0.00 0.00 26 M 8.38 4.40 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 27 P 0.00 4.80 0.00 1.96 2.03 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 28 S 8.46 4.61 0.00 3.91 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 29 S 8.24 4.57 0.00 3.83 3.66 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 30 K 8.88 3.90 0.00 1.78 1.84 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.45 7.81 31 L 7.68 4.21 0.00 1.72 1.61 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.93 3.91 0.00 2.06 1.83 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.49 7.81 33 V 7.99 3.52 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 0.74 0.00 0.00 0.89 0.00 0.00 34 A 7.58 3.86 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 35 I 8.10 3.70 1.95 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 1.40 0.86 0.85 0.00 0.00 36 A 7.98 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 37 N 7.84 4.03 0.00 2.66 2.94 0.00 0.00 6.96 7.78 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 38 V 8.07 3.68 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 0.97 0.00 0.00 0.91 0.00 0.00 39 L 8.04 4.00 0.00 1.94 1.79 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.42 4.44 0.00 2.13 2.08 0.00 1.71 0.00 0.00 2.00 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.54 7.81 41 E 9.25 4.31 0.00 1.95 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 0.00 2.35 2.43 0.00 42 E 7.83 4.67 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 43 G 8.84 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 44 F 8.81 4.53 0.00 3.09 3.10 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 I 7.43 4.73 2.19 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 1.52 1.31 0.98 0.00 0.00 46 E 8.60 3.95 0.00 1.96 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 2.32 2.27 0.00 47 D 7.38 4.47 0.00 2.53 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.70 5.00 0.00 3.20 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 49 K 8.23 4.38 0.00 1.86 1.94 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.08 7.81 50 V 8.86 4.31 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 0.81 0.00 0.00 0.97 0.00 0.00 51 E 8.61 4.51 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 52 G 7.90 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 53 D 9.34 4.48 0.00 2.69 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 54 T 8.00 4.38 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 55 K 7.48 4.62 0.00 1.73 1.70 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 P 0.00 4.12 0.00 2.07 2.03 0.00 3.53 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 57 E 8.53 4.93 0.00 1.95 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 2.19 2.27 0.00 58 L 9.37 4.62 0.00 1.72 1.68 0.97 0.91 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 59 E 9.42 5.65 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 60 L 8.55 5.02 0.00 1.67 1.61 0.96 0.88 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 61 T 8.49 4.71 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 1.38 0.00 0.00 62 L 8.44 4.71 0.00 1.66 1.66 0.92 1.07 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 63 K 8.28 4.67 0.00 1.57 1.61 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.46 7.81 64 Y 8.84 4.80 0.00 2.94 2.91 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 65 F 8.21 5.52 0.00 2.87 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 0.00 0.00 0.00 66 Q 9.08 3.91 0.00 1.74 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 67 G 9.33 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 68 K 7.71 4.45 0.00 1.90 1.82 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.47 7.81 69 A 8.15 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.33 3.92 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 0.34 0.00 0.00 0.79 0.00 0.00 71 V 7.45 4.05 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 0.86 0.00 0.00 1.02 0.00 0.00 72 E 8.62 4.15 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 73 S 7.60 4.74 0.00 4.05 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 74 I 8.20 4.61 1.85 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 1.31 0.69 0.95 0.00 0.00 75 Q 9.11 4.77 0.00 2.11 2.00 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 2.32 2.47 0.00 76 R 8.36 4.53 0.00 1.76 1.78 0.00 3.54 0.00 0.00 3.07 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 77 V 8.43 3.65 2.03 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 0.50 0.00 0.00 -0.12 0.00 0.00 78 S 6.13 4.03 0.00 3.72 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.29 4.67 0.00 1.90 2.02 0.00 2.82 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 80 P 0.00 4.20 0.00 2.18 2.24 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 81 G 8.12 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 82 L 7.62 4.57 0.00 1.55 1.45 0.90 1.34 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 83 R 8.17 4.01 0.00 1.88 1.70 0.00 3.41 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 84 I 7.09 4.51 1.62 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.96 0.79 0.00 0.00 85 Y 8.30 5.08 0.00 2.76 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 9.30 4.42 0.00 1.57 1.71 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.53 7.81 87 R 9.02 4.02 0.00 1.89 1.73 0.00 3.17 0.00 0.00 3.40 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 88 K 8.79 4.68 0.00 1.87 2.09 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 89 D 8.09 4.33 0.00 2.68 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.13 4.21 0.00 1.94 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 2.30 2.34 0.00 91 L 7.70 4.06 0.00 1.93 1.63 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.62 0.00 2.25 2.13 0.00 3.76 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 2.12 2.13 0.00 93 K 8.06 4.83 0.00 1.82 1.82 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.32 7.81 94 V 8.36 3.42 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 0.94 0.00 0.00 0.96 0.00 0.00 95 M 9.38 3.22 0.00 2.19 2.42 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 96 A 8.33 3.91 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 97 G 7.50 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.39 4.59 0.00 1.61 1.61 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.81 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.64 4.76 1.95 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 1.11 0.86 1.02 0.00 0.00 101 A 8.60 4.98 1.45 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 0.00 0.00 102 V 8.32 3.80 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 0.86 0.00 0.00 0.83 0.00 0.00 103 V 7.74 4.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.92 0.00 0.00 104 S 8.02 4.60 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.97 5.00 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 1.24 0.00 0.00 106 S 8.76 4.21 0.00 3.98 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 0.00 107 K 7.55 4.27 0.00 1.82 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.34 7.81 108 G 8.44 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.71 4.44 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 0.88 0.00 0.00 0.91 0.00 0.00 110 M 7.81 4.56 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 111 T 8.03 4.61 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 112 D 8.29 4.14 0.00 2.99 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 0.00 113 R 8.00 3.91 0.00 1.92 1.97 0.00 3.19 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 114 A 8.25 4.17 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 0.00 115 A 8.75 4.15 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 0.00 116 R 7.56 3.92 0.00 2.30 1.93 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 117 Q 7.46 4.15 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 118 A 7.84 4.09 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 0.00 119 G 7.87 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 0.00 120 L 8.10 4.48 0.00 1.65 1.55 0.99 0.54 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 0.00 121 G 7.62 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 6.94 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 9.58 5.12 0.00 2.51 2.03 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 2.19 2.09 0.00 124 I 8.20 3.76 1.61 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 1.26 0.74 0.87 0.00 0.00 125 I 8.67 3.74 1.94 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 1.23 0.63 0.82 0.00 0.00 126 C 7.46 4.82 0.00 3.05 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 0.00 127 Y 8.27 5.34 0.00 2.92 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 0.00 128 V 8.52 4.87 1.58 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 0.45 0.00 0.00 0.75 0.00 0.00 129 A 8.26 4.40 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