NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9499 8.3549 108.0227 46.1966 0.0000 173.1717 4 M 4.3105 8.6762 127.1844 53.4667 33.6726 174.2440 5 R 4.4346 8.6958 124.0438 56.1096 32.3380 174.8151 6 V 4.8504 8.4034 125.5014 61.3430 34.7168 173.7145 7 Y 4.7936 9.0904 127.2501 57.5436 39.2679 174.6981 8 L 5.2831 9.4170 124.6396 52.9364 45.2238 175.8426 9 G 4.6557 9.0009 108.9478 44.6720 0.0000 171.2758 10 A 5.7959 9.2233 125.2373 50.5395 23.4809 176.1517 11 D 4.5231 8.5104 120.2697 52.0783 42.1005 176.3214 12 H 3.9750 9.0822 114.4529 59.4538 27.7243 177.0624 13 A 4.3135 7.8371 121.5696 53.5159 18.5275 178.6364 14 G 3.9569 7.9590 102.7282 44.7241 0.0000 174.9387 15 Y 4.0492 7.6417 122.7690 60.9048 38.8576 177.9446 16 E 3.8094 8.2995 118.8701 59.2305 29.5929 178.8338 17 L 3.8988 7.8821 119.8920 58.0044 42.0660 178.6028 18 K 3.7935 8.2715 119.8507 59.7069 32.0693 178.6412 19 Q 3.8406 7.6637 117.9503 59.0559 28.5424 179.1208 20 R 3.9173 7.7158 118.5836 59.3296 30.0462 179.2343 21 I 3.7648 8.0231 119.8527 64.2529 37.0661 178.5750 22 I 3.6627 8.0625 121.0897 64.2279 36.9375 177.7106 23 E 3.8915 8.1800 120.1435 59.9564 29.2965 178.5509 24 H 4.1796 8.6196 118.2560 59.0596 29.7709 177.3260 25 L 4.0758 8.0670 122.3199 56.9752 41.4363 179.1378 26 K 3.8461 8.0118 118.4498 59.9299 31.8949 179.1248 27 Q 4.1670 7.9673 115.7718 57.5357 28.6435 177.4714 28 T 4.4931 7.5757 110.5092 61.1963 68.8696 175.5297 29 G 3.8725 7.8095 108.7083 45.9103 0.0000 173.1008 30 H 4.7432 7.9680 116.9802 54.1227 31.7020 174.8569 31 E 4.6358 8.9590 120.6126 53.7038 29.7905 172.1161 32 P 4.9190 0.0000 0.0000 62.0843 33.0499 175.8992 33 I 4.4160 8.9959 124.3408 59.4716 40.1256 174.0883 34 D 4.9569 8.8170 127.6603 53.7997 41.2522 175.4770 35 C 4.4970 9.3916 124.1959 59.8337 28.8797 174.7603 36 G 4.0476 9.1651 106.3712 44.5864 0.0000 173.1346 37 A 4.1092 7.4438 122.6415 52.0379 18.6231 178.0209 38 L 4.6704 8.4392 120.3154 54.8743 42.4325 176.6740 39 R 4.4173 7.2259 113.8225 54.2082 32.2670 173.9786 40 Y 3.4193 7.6476 120.5862 57.2803 39.0573 174.6990 41 D 4.3516 7.7269 126.1213 51.8739 42.8211 175.3943 42 A 3.4075 8.2527 130.5796 54.5235 18.3467 177.4988 43 D 4.6822 7.8744 113.1710 53.9004 41.5596 176.3934 44 D 4.5958 7.8371 119.4219 53.1934 40.0913 175.3930 45 D 4.9245 8.4283 119.8179 52.3548 42.6805 176.4122 46 Y 4.6083 8.8200 124.1055 59.9608 37.6118 176.6442 47 P 4.1956 0.0000 0.0000 65.4120 31.3896 178.1247 48 A 3.8183 7.6775 118.7825 55.3003 18.1824 179.6017 49 F 4.2904 7.5511 115.6194 60.6999 39.0591 177.7610 50 C 4.2595 8.3021 116.4710 62.9906 27.9935 176.1812 51 I 3.7017 8.1951 121.5921 64.1076 36.6487 178.3468 52 A 3.9177 8.1928 121.4210 55.1396 18.3086 179.4701 53 A 3.9590 8.2304 119.0443 55.3375 18.4268 179.7937 54 A 3.9438 8.2066 119.2737 55.5633 18.4852 179.8105 55 T 3.7497 8.2243 114.7114 67.0546 68.3126 177.0431 56 R 3.6389 7.4756 118.4516 59.1615 30.3554 178.9445 57 T 4.1909 7.5250 116.8547 66.1924 68.2832 176.9451 58 V 3.6071 7.7204 118.6894 65.7495 31.6781 177.3463 59 A 4.2904 7.8006 118.1747 52.7348 19.8210 177.1302 60 D 4.7833 7.6404 116.4825 50.7326 41.1466 172.1888 61 P 4.4888 0.0000 0.0000 63.9414 32.1739 177.0821 62 G 3.9834 9.0721 111.2266 44.9464 0.0000 173.5037 63 S 4.7625 7.9447 114.6879 57.7297 65.3742 172.9152 64 L 5.1194 9.0380 120.1149 53.0869 45.8636 175.7290 65 G 4.7088 9.3885 105.9572 45.0784 0.0000 171.9224 66 I 5.1626 8.9905 122.1780 59.3918 41.5000 174.6425 67 V 5.0227 8.7572 120.1887 59.5341 34.6798 174.7874 68 L 5.1988 8.9822 124.2419 53.1516 45.3890 175.3873 69 G 4.4014 7.8390 111.0497 45.9605 0.0000 173.7809 70 G 3.7141 9.0841 107.0883 49.1379 0.0000 176.1003 71 S 4.4479 8.2073 115.3317 57.3555 64.5610 174.9640 72 G 4.1002 8.1076 108.1460 45.9443 0.0000 175.5478 73 N 4.3731 7.9457 117.2608 56.1514 38.5351 177.6367 74 G 3.4199 7.8062 106.5985 47.7623 0.0000 175.3958 75 E 4.0198 7.6532 120.5318 59.2068 29.5336 179.2966 76 Q 4.0217 8.0440 117.7777 59.1542 28.4460 178.3513 77 I 3.6789 7.7519 120.8178 64.1668 37.5748 177.8606 78 A 4.1782 8.3094 121.1117 55.2584 18.2943 179.3609 79 A 3.9957 8.1128 119.2432 55.5798 18.2509 179.3211 80 N 4.5348 8.3784 113.1090 55.2098 38.7196 177.0039 81 K 4.2829 7.7096 119.0434 56.7373 32.6930 177.0504 82 V 3.8003 7.4119 121.0997 61.2537 31.8833 173.4878 83 P 5.2449 0.0000 0.0000 63.8516 31.4662 176.7263 84 G 3.9061 9.2437 111.6821 45.0569 0.0000 173.3296 85 A 4.3260 7.5978 122.4937 51.4296 19.7916 177.0874 86 R 4.6441 9.3145 120.5591 54.6635 33.4489 174.3086 87 C 5.1586 9.6889 125.8195 57.4150 33.2049 173.3828 88 A 4.3926 8.5458 128.7770 51.3526 20.0043 175.7782 89 L 4.6477 8.4943 122.4156 54.3061 42.9919 175.9572 90 A 4.6326 8.8325 130.1825 50.3846 19.4232 176.3376 91 W 4.7625 8.5041 117.9958 56.9877 29.4015 175.9294 92 S 4.4286 7.4065 113.8232 56.3490 66.7463 175.3764 93 V 3.4982 8.0501 120.9343 65.9835 31.1245 177.5640 94 Q 3.8554 7.7695 119.0671 59.4509 28.9675 178.3162 95 T 3.6925 7.4954 110.5337 64.3640 68.2354 176.4823 96 A 3.9451 7.9154 123.4548 54.8826 18.3521 179.4290 97 A 3.9729 7.9832 119.1624 55.4662 18.5174 179.8960 98 L 3.7979 8.1776 117.5560 57.6245 41.5466 179.3446 99 A 4.0418 8.1416 120.8843 55.4705 18.1369 180.0181 100 R 3.8934 7.7896 115.3468 59.4862 30.1663 178.9081 101 E 4.3103 8.5291 120.7180 58.9096 29.4479 178.0936 102 H 4.3211 8.6740 114.6987 57.1558 29.6356 175.7427 103 N 4.6509 8.1850 113.0965 52.3469 39.4803 173.9238 104 N 3.7643 7.9753 115.6327 53.8489 37.2798 174.0415 105 A 4.1905 7.9306 120.1098 52.3888 19.2452 178.4945 106 Q 4.3583 8.7388 121.8303 57.5517 30.4141 175.7865 107 L 6.1881 8.4138 117.8552 51.6901 45.9853 175.6902 108 I 4.7800 7.7574 113.9310 59.0203 41.0358 174.2751 109 G 4.2893 9.1281 111.6968 45.1059 0.0000 172.6155 110 I 4.8057 8.4546 123.6057 59.0943 41.2485 175.0826 111 G 3.9767 8.3513 114.4607 44.6161 0.0000 174.1416 112 G 3.8664 9.2083 116.2344 48.8479 0.0000 173.1487 113 R 4.4282 8.1988 117.1099 57.2776 30.0693 177.4291 114 M 4.3819 8.1666 118.0861 55.5850 33.2567 175.6789 115 H 5.1490 7.6763 114.4599 52.9224 33.2022 173.7809 116 T 4.0997 9.4301 113.6917 61.6347 70.5680 175.6776 117 V 3.5520 8.4159 120.9301 66.1738 31.4280 178.2430 118 A 3.9488 7.8886 119.9762 55.1902 18.3674 179.2595 119 E 3.8839 8.2839 116.9090 59.4245 29.4503 179.4826 120 A 3.9106 8.1229 120.7693 55.2721 18.4674 179.7797 121 L 3.8221 8.0957 117.2763 57.6389 41.6093 179.6071 122 A 3.9869 7.9609 120.9238 55.0540 18.2827 179.7323 123 I 3.5974 7.6464 118.3506 64.4817 37.1100 178.7498 124 V 3.6672 7.9452 119.1474 66.0975 31.1799 177.5507 125 D 4.3966 8.2856 118.3711 57.5620 40.6023 178.7832 126 A 4.0149 8.0704 120.9640 55.1226 18.1304 179.4807 127 F 4.2245 8.1987 118.0706 61.4583 39.6801 177.2100 128 V 3.7071 8.0010 109.3682 62.0635 31.7547 176.6041 129 T 4.4629 7.3873 107.1342 61.3059 70.0842 174.2022 130 T 4.2544 7.4552 120.3900 62.2736 69.2584 172.9396 131 P 4.5508 0.0000 0.0000 61.2989 32.3789 175.5403 132 W 4.9586 8.9202 131.2316 57.0035 31.1482 176.4642 133 S 3.8932 8.2736 121.1808 59.3821 62.6351 175.3605 134 K 2.6778 5.6600 116.3480 56.3619 29.3439 176.0279 135 A 3.9504 6.8320 121.1939 51.7681 19.9314 178.7360 136 Q 3.9080 8.6623 124.4538 59.5598 29.1427 179.6140 137 R 3.9418 7.8241 116.3634 59.4420 29.6038 178.4462 138 H 4.3580 7.9994 116.4720 58.7790 28.8686 177.1615 139 Q 4.2701 8.5474 121.5873 59.4051 28.7791 178.4320 140 R 3.9252 8.4166 119.8852 59.6173 30.1291 178.7748 141 R 3.9557 8.0710 117.7154 59.3186 30.0018 179.0031 142 I 3.7387 8.0056 119.6535 64.5536 37.0371 178.2478 143 D 4.3771 8.4211 119.7660 57.3443 40.6683 178.8147 144 I 3.7275 8.0704 120.5897 64.3141 37.0761 178.2469 145 L 4.0174 8.0527 120.8491 58.1226 41.9601 178.7027 146 A 4.0185 8.3278 121.0667 55.2580 18.3792 179.2019 147 E 3.8870 8.4393 117.7998 59.6178 29.7118 178.4414 148 Y 4.0720 8.1926 119.6165 60.6598 38.8692 177.5393 149 E 3.8912 8.7397 120.7640 59.1762 29.4582 178.8518 150 R 3.8528 7.9147 118.4419 58.6136 30.2710 177.5579 151 T 4.3645 7.4671 106.3128 60.4316 70.3327 173.8551 152 H 3.0353 7.8129 117.1040 56.2040 27.0054 174.1518 153 E 4.4097 7.9168 118.9526 54.5260 29.3876 176.3314 154 A 4.2066 8.7480 128.1822 51.2891 18.9609 175.3568 155 P 4.4803 0.0000 0.0000 61.8037 32.0825 174.5455 156 P 4.4357 0.0000 0.0000 62.7568 32.1069 175.9020 157 V 4.2366 8.0579 114.2826 58.8509 33.1030 174.3631 158 P 4.4047 0.0000 0.0000 63.4152 30.7082 175.8348 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 3 G 8.35 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 0.00 0.00 0.00 0.00 4 M 8.68 4.31 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 5 R 8.70 4.43 0.00 1.82 1.73 0.00 3.26 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.45 0.00 6 V 8.40 4.85 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 1.01 0.00 0.00 0.89 0.00 0.00 7 Y 9.09 4.79 0.00 3.10 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.42 5.28 0.00 1.58 1.55 0.97 0.66 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 9 G 9.00 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.22 5.80 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.51 4.52 0.00 3.19 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 12 H 9.08 3.97 0.00 2.69 3.38 0.00 5.26 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 13 A 7.84 4.31 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 14 G 7.96 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 15 Y 7.64 4.05 0.00 3.19 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 16 E 8.30 3.81 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 17 L 7.88 3.90 0.00 1.74 1.81 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.27 3.79 0.00 1.77 1.82 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.44 7.81 19 Q 7.66 3.84 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 1.87 2.11 0.00 20 R 7.72 3.92 0.00 1.97 1.95 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 21 I 8.02 3.76 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.66 0.92 0.00 0.00 22 I 8.06 3.66 1.99 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 1.39 1.03 0.89 0.00 0.00 23 E 8.18 3.89 0.00 2.03 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 0.00 2.33 2.34 0.00 24 H 8.62 4.18 0.00 3.32 3.47 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.07 4.08 0.00 1.78 1.71 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.01 3.85 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.57 7.81 27 Q 7.97 4.17 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.15 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 28 T 7.58 4.49 4.20 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 1.05 0.00 0.00 29 G 7.81 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 0.00 0.00 0.00 30 H 7.97 4.74 0.00 3.13 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.96 4.64 0.00 1.95 1.72 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 2.11 2.17 0.00 32 P 0.00 4.92 0.00 2.09 2.02 0.00 3.73 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 1.96 2.16 0.00 33 I 9.00 4.42 1.51 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.53 1.02 0.00 0.00 34 D 8.82 4.96 0.00 2.70 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 35 C 9.39 4.50 0.00 3.10 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 9.17 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.44 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.44 4.67 0.00 1.71 1.80 0.99 0.94 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 39 R 7.23 4.42 0.00 1.77 1.82 0.00 3.01 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 40 Y 7.65 3.42 0.00 2.49 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 41 D 7.73 4.35 0.00 2.52 2.33 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 42 A 8.25 3.41 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.87 4.68 0.00 2.62 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 44 D 7.84 4.60 0.00 2.97 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 45 D 8.43 4.92 0.00 2.56 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 46 Y 8.82 4.61 0.00 3.34 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.20 0.00 1.96 2.00 0.00 3.16 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.36 0.00 48 A 7.68 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.55 4.29 0.00 3.27 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 50 C 8.30 4.26 0.00 3.28 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.20 3.70 1.89 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 1.45 0.68 0.88 0.00 0.00 52 A 8.19 3.92 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 53 A 8.23 3.96 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 54 A 8.21 3.94 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 55 T 8.22 3.75 4.36 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 1.15 0.00 0.00 56 R 7.48 3.64 0.00 1.08 0.66 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 57 T 7.52 4.19 4.38 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 1.35 0.00 0.00 58 V 7.72 3.61 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 0.84 0.00 0.00 0.99 0.00 0.00 59 A 7.80 4.29 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 60 D 7.64 4.78 0.00 2.87 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 61 P 0.00 4.49 0.00 2.09 2.00 0.00 3.73 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 2.04 2.10 0.00 62 G 9.07 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 63 S 7.94 4.76 0.00 4.20 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 9.04 5.12 0.00 1.57 1.73 0.35 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.39 4.71 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 66 I 8.99 5.16 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.92 0.88 0.00 0.00 67 V 8.76 5.02 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 0.89 0.00 0.00 0.98 0.00 0.00 68 L 8.98 5.20 0.00 1.50 1.49 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.84 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 0.00 0.00 0.00 0.00 70 G 9.08 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 71 S 8.21 4.45 0.00 3.95 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 72 G 8.11 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 73 N 7.95 4.37 0.00 2.65 2.82 0.00 0.00 6.77 7.47 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 74 G 7.81 3.42 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 0.00 75 E 7.65 4.02 0.00 2.13 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 2.32 2.10 0.00 76 Q 8.04 4.02 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.64 0.00 77 I 7.75 3.68 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.96 0.00 0.00 78 A 8.31 4.18 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 79 A 8.11 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 80 N 8.38 4.53 0.00 2.92 2.92 0.00 0.00 7.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.71 4.28 0.00 1.92 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.72 1.60 7.81 82 V 7.41 3.80 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 0.93 0.00 0.00 83 P 0.00 5.24 0.00 2.06 1.98 0.00 3.77 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 84 G 9.24 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.60 4.33 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 86 R 9.31 4.64 0.00 1.77 1.80 0.00 3.08 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 87 C 9.69 5.16 0.00 2.90 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 88 A 8.55 4.39 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 89 L 8.49 4.65 0.00 1.69 1.71 0.93 1.04 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 90 A 8.83 4.63 1.11 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 0.00 0.00 91 W 8.50 4.76 0.00 3.58 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 92 S 7.41 4.43 0.00 3.73 3.47 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 93 V 8.05 3.50 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 0.98 0.00 0.00 0.94 0.00 0.00 94 Q 7.77 3.86 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 95 T 7.50 3.69 4.01 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 0.65 0.00 0.00 96 A 7.92 3.95 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 97 A 7.98 3.97 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 98 L 8.18 3.80 0.00 1.61 1.61 0.84 0.88 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 99 A 8.14 4.04 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.79 3.89 0.00 2.06 2.10 0.00 3.42 0.00 0.00 2.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 101 E 8.53 4.31 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 102 H 8.67 4.32 0.00 3.30 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.18 4.65 0.00 2.89 2.82 0.00 0.00 7.07 8.00 0.00 0.00 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 N 7.98 3.76 0.00 1.44 1.85 0.00 0.00 7.02 7.96 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 0.00 105 A 7.93 4.19 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 0.00 106 Q 8.74 4.36 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 107 L 8.41 6.19 0.00 1.62 1.51 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.76 4.78 1.52 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.13 0.51 0.00 0.00 109 G 9.13 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.45 4.81 1.84 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 1.08 0.90 0.91 0.00 0.00 111 G 8.35 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 0.00 112 G 9.21 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 0.00 0.00 0.00 113 R 8.20 4.43 0.00 1.89 1.97 0.00 3.14 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 114 M 8.17 4.38 0.00 1.78 1.93 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 2.49 2.57 0.00 115 H 7.68 5.15 0.00 3.09 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 9.43 4.10 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 1.25 0.00 0.00 117 V 8.42 3.55 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 1.01 0.00 0.00 0.92 0.00 0.00 118 A 7.89 3.95 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 0.00 119 E 8.28 3.88 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 120 A 8.12 3.91 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 0.00 121 L 8.10 3.82 0.00 1.59 1.42 0.82 0.47 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 0.00 122 A 7.96 3.99 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 0.00 123 I 7.65 3.60 1.95 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.82 0.00 0.00 124 V 7.95 3.67 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 1.19 0.00 0.00 0.92 0.00 0.00 125 D 8.29 4.40 0.00 2.95 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 0.00 126 A 8.07 4.01 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 0.00 127 F 8.20 4.22 0.00 2.91 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 0.00 128 V 8.00 3.71 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 0.81 0.00 0.00 0.91 0.00 0.00 129 T 7.39 4.46 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 1.29 0.00 0.00 130 T 7.46 4.25 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 1.30 0.00 0.00 131 P 0.00 4.55 0.00 2.19 1.97 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 132 W 8.92 4.96 0.00 3.24 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 0.00 133 S 8.27 3.89 0.00 3.78 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 0.00 134 K 5.66 2.68 0.00 1.56 1.69 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.88 0.99 7.81 135 A 6.83 3.95 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 0.00 136 Q 8.66 3.91 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 137 R 7.82 3.94 0.00 2.05 2.12 0.00 2.96 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 138 H 8.00 4.36 0.00 3.58 3.95 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.55 4.27 0.00 2.40 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 140 R 8.42 3.93 0.00 2.00 2.13 0.00 3.17 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 1.66 1.71 0.00 141 R 8.07 3.96 0.00 2.14 2.01 0.00 3.37 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 142 I 8.01 3.74 2.04 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 0.85 0.00 0.00 143 D 8.42 4.38 0.00 2.92 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 0.00 144 I 8.07 3.73 2.05 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 1.44 0.98 0.94 0.00 0.00 145 L 8.05 4.02 0.00 1.89 1.86 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.33 4.02 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 0.00 147 E 8.44 3.89 0.00 2.19 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 0.00 2.34 2.41 0.00 148 Y 8.19 4.07 0.00 3.10 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 0.00 149 E 8.74 3.89 0.00 2.21 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 2.28 2.33 0.00 150 R 7.91 3.85 0.00 1.95 2.07 0.00 3.24 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 151 T 7.47 4.36 4.20 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 1.26 0.00 0.00 152 H 7.81 3.04 0.00 3.07 3.20 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.92 4.41 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 2.31 2.42 0.00 154 A 8.75 4.21 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 0.00 155 P 0.00 4.48 0.00 2.19 2.10 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 156 P 0.00 4.44 0.00 2.21 2.10 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 157 V 8.06 4.24 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 0.75 0.00 0.00 0.93 0.00 0.00 158 P 0.00 4.40 0.00 2.17 2.08 0.00 3.79 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 2.00 2.00 0.00