NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4384 0.0000 0.0000 63.0840 34.0619 174.7290 2 Q 4.3504 8.6189 119.4295 54.6191 31.1225 173.8528 3 A 5.1892 9.2603 128.5562 49.8627 21.1896 175.6890 4 I 4.6085 8.3486 123.7240 59.7000 40.0327 174.7112 5 K 4.9494 9.6894 130.0577 55.5896 33.7487 174.7649 6 C 5.4963 9.8228 127.9978 57.7836 34.3645 172.7232 7 V 4.9915 8.6062 119.0859 59.6588 34.1964 175.0429 8 V 4.7162 8.8448 124.3930 61.5668 33.6286 174.8039 9 V 4.4251 9.6866 121.2666 58.7009 35.0953 175.3989 10 G 3.7333 6.5768 111.3517 43.8955 0.0000 172.2288 11 D 4.8383 8.0538 120.2378 54.0802 41.4754 176.9356 12 G 3.7216 8.5512 109.6117 46.8697 0.0000 173.6776 13 A 3.8141 8.7063 122.7508 52.6205 16.1891 179.3728 14 V 3.7813 7.3888 111.4326 64.4646 32.0671 176.8390 15 G 4.0360 8.4806 108.2230 45.5939 0.0000 175.7697 16 K 3.9996 8.3764 122.6531 59.3262 31.9109 179.3803 17 T 4.0136 7.7850 115.5049 66.9719 68.7119 176.7482 18 C 4.1401 8.0402 117.6891 62.1607 27.6066 175.9296 19 L 4.0024 7.9427 122.5486 58.2081 41.7671 178.9026 20 L 3.9926 7.5852 118.9706 57.3919 41.4525 179.5494 21 I 3.2203 7.3955 119.9887 63.9725 36.9349 178.2113 22 S 4.5196 8.0225 114.8022 60.1569 61.9090 175.2660 23 Y 4.0867 7.1606 120.6251 60.4024 38.9297 177.0124 24 T 3.7490 7.5578 109.6728 63.7965 69.1778 175.9570 25 T 4.1656 7.5634 110.2805 60.4949 69.6176 174.3449 26 N 4.2529 7.8733 118.3132 53.8664 37.9782 173.2558 27 A 4.6311 7.5628 117.8807 50.0965 22.4784 176.2920 28 F 4.4663 8.8239 125.9092 56.9884 39.9281 173.2070 29 P 4.1680 0.0000 0.0000 62.3324 31.3736 175.0887 30 G 3.4993 7.4712 109.3685 47.0742 0.0000 174.7595 31 E 3.9158 7.5764 125.6803 58.4867 30.7561 177.4479 *32 Y 4.0866 7.4830 120.6715 56.6544 37.1147 177.7248 33 I 4.5666 7.9543 126.1497 58.0812 40.6895 173.7968 34 P 4.5282 0.0000 0.0000 62.3292 32.1053 176.7758 35 T 3.9896 8.6634 117.8131 66.2948 68.5127 174.7535 36 V 4.5297 7.4420 119.0782 60.5302 33.5102 174.6614 37 F 4.3950 9.1869 130.3697 57.6382 39.8409 174.7084 38 D 4.1499 7.7377 127.6371 54.0197 41.1885 175.7133 39 N 3.9546 8.0731 121.3237 54.4956 39.3949 173.4035 40 Y 4.5681 8.2386 125.9402 56.4568 43.1600 173.2313 41 S 5.6526 8.2598 121.8841 56.3372 65.2369 172.7856 42 A 4.8748 8.4438 125.3522 50.0536 22.2802 174.6581 43 N 5.0470 8.6880 118.6421 52.7980 39.4279 175.1074 44 V 4.6404 8.6520 116.7253 59.6953 36.3412 174.8038 45 M 5.3358 8.6195 119.6981 52.4725 31.8638 173.4610 46 V 4.1781 8.0799 125.5803 62.7541 33.1343 175.5852 47 D 4.6992 9.5604 126.4059 55.6330 37.9169 174.1463 48 G 3.9373 9.8234 104.2174 45.5659 0.0000 174.0018 49 K 4.7850 7.5535 117.0192 53.9973 36.8755 174.0613 50 P 5.0405 0.0000 0.0000 62.9102 32.8551 175.6333 51 V 4.4871 8.8777 120.5909 61.6552 35.0540 173.7947 52 N 4.9881 9.5208 128.3746 51.8938 37.8948 171.5803 53 L 4.4657 8.6406 123.5559 54.7916 43.8323 175.9080 54 G 4.3633 9.0962 115.7955 44.6668 0.0000 171.8380 55 L 5.1347 8.7754 128.1948 53.1749 43.4668 176.1339 56 W 4.8766 9.4938 124.1861 54.8550 32.1239 173.9808 57 D 5.3754 9.0790 124.3030 52.9241 42.9689 175.1425 58 T 4.8701 7.8849 115.3688 59.8204 71.8420 172.7535 59 A 4.6432 8.4213 124.1001 50.5000 19.8580 177.4014 60 G 3.8133 8.8033 111.6607 48.1761 0.0000 173.1913 61 Q 4.1313 7.7570 119.7490 56.4951 29.3259 177.6651 62 E 5.0085 8.7489 121.2586 57.8675 29.9875 178.2230 63 D 4.3177 8.0109 117.2719 57.0896 41.2287 176.4543 64 Y 4.8135 7.8380 116.0524 57.8071 38.5022 177.1162 65 D 4.4506 7.7762 123.5709 57.4840 40.5327 178.4563 66 R 4.2932 7.8940 116.7023 57.5214 31.1187 177.5368 67 L 4.1607 7.7982 120.0513 57.7224 42.3082 178.1619 68 R 3.8240 8.1944 118.8666 59.2942 30.0422 176.5627 69 P 4.2417 0.0000 0.0000 64.8963 31.1025 177.8451 70 L 4.0878 7.5021 116.5452 56.4309 41.5472 177.9860 71 S 3.9876 7.3300 111.9524 59.1980 62.9451 174.9528 72 Y 4.4474 7.4116 120.9498 59.2838 37.7422 174.4439 73 P 4.4295 0.0000 0.0000 64.0178 31.9096 176.3762 74 Q 3.8693 8.8441 119.5536 56.4157 26.3325 173.7355 75 T 4.3296 7.6333 115.2051 63.5030 69.2533 174.8500 76 D 5.0843 8.6510 123.9521 54.9614 43.4629 177.2814 77 V 4.8204 7.6530 117.4242 60.3612 34.8068 173.2910 78 S 5.2698 9.0196 119.0559 56.4984 66.2442 172.8853 79 L 4.9716 8.8928 123.1387 53.2240 43.7790 175.8665 80 I 4.2927 8.8379 127.1845 60.6601 37.6234 175.1622 81 C 5.2187 9.1508 126.3198 58.8685 30.2301 173.1196 82 F 5.0416 8.4681 115.7851 55.6102 41.3139 173.3814 83 S 4.6395 8.5208 115.7318 57.6661 63.0818 174.9868 84 L 4.1513 8.6873 126.3374 56.2956 42.6221 178.6935 85 V 4.5295 7.4086 111.6140 60.8703 31.9893 176.4942 86 S 4.5728 7.8759 115.8624 54.8091 62.9331 172.0945 87 P 4.3726 0.0000 0.0000 64.9374 31.1699 177.7085 88 A 4.0373 8.1151 119.5416 55.3763 18.2465 179.7249 89 S 5.1539 7.8100 112.4671 60.8882 63.1723 176.2608 90 F 4.1646 8.0656 124.6636 61.3337 38.7160 176.5195 91 E 3.8112 8.3119 118.8987 59.3948 29.5096 177.9914 92 N 4.6194 8.1910 114.4236 54.4225 38.4425 177.1397 93 V 3.9337 8.0264 122.1505 65.7393 31.5243 177.9128 94 R 4.0625 7.7098 113.2387 58.3051 30.0740 177.3885 95 A 4.1135 7.5886 120.2474 53.7519 19.0239 176.9512 96 K 4.0960 7.8530 113.4669 57.6776 34.2961 178.2486 97 W 4.3362 7.7523 117.8447 59.9878 29.0690 177.5967 98 Y 4.3990 8.4637 119.9592 60.5013 38.3363 176.6733 99 P 3.6789 0.0000 0.0000 65.5072 31.4747 177.9194 100 E 3.8082 7.9290 118.9946 59.0610 29.6168 178.8418 101 V 3.1424 8.6248 119.0731 65.9374 31.3729 178.0646 102 R 3.8031 7.8473 117.4420 59.6698 30.0220 177.7288 103 H 4.1294 7.8036 116.5227 58.8088 29.8739 176.0350 104 H 4.5731 7.7192 115.7532 55.5928 30.6098 175.0121 105 C 4.8022 7.6083 117.2899 57.2306 28.3725 172.0098 106 P 4.3546 0.0000 0.0000 63.1064 32.6166 176.4888 107 N 4.1538 8.6485 115.5768 54.4545 35.7704 174.6307 108 T 4.7951 7.2816 112.3450 60.9480 73.0316 173.9986 109 P 4.4839 0.0000 0.0000 63.1069 32.9092 175.1313 110 I 5.0918 8.4019 121.9523 59.6393 40.8922 174.2027 111 I 4.9473 8.6789 126.8815 59.4190 40.1576 174.3121 112 L 4.9659 8.4549 129.7780 54.1736 43.9851 175.4040 113 V 4.6036 9.1187 125.7436 61.0970 34.8773 174.2866 114 G 3.2922 8.5250 116.4242 44.8039 0.0000 173.5228 115 T 4.6832 8.3282 118.2095 59.9885 71.5818 174.6229 116 K 3.7596 8.4567 116.8630 56.8586 29.5999 177.6948 117 L 4.0526 7.8034 123.1169 58.2278 42.0153 178.3528 118 D 4.4758 7.9244 115.8020 54.8575 39.2078 176.5784 119 L 4.4060 8.2374 119.9543 55.1756 42.3213 178.6659 120 R 4.1490 7.6274 117.9731 58.5443 30.1955 177.2452 121 D 4.6268 7.8874 115.8798 55.1537 42.3709 176.5351 122 D 4.2929 7.3781 118.3566 54.5440 41.5113 177.0866 123 K 3.9173 8.7741 126.3923 59.9241 32.5716 177.6803 124 D 4.5852 8.3768 117.9647 58.0799 41.2703 179.2550 125 T 3.8951 8.0950 115.0061 67.1013 68.4493 176.9239 126 I 4.1218 7.3833 118.4007 61.8435 36.7894 175.9902 127 E 4.4873 8.4120 120.8207 58.6901 31.4709 179.4458 128 K 4.1033 7.8164 118.9418 56.7174 32.2631 179.9412 129 L 4.3533 7.9721 118.4763 57.6389 42.5875 178.2461 130 K 4.0276 8.1327 119.9289 59.1966 32.1785 177.2251 131 E 4.6130 8.0983 113.1602 55.8936 28.8010 181.6320 132 K 4.5673 8.0428 117.5264 56.8386 32.9523 177.1612 133 K 4.0837 8.3477 115.4748 56.9964 29.2699 175.2389 134 L 4.8132 7.3942 118.5458 53.0314 44.2809 176.1576 135 T 4.6564 8.1053 111.9584 58.7934 71.4226 171.9826 136 P 4.5244 0.0000 0.0000 62.5942 32.3449 176.0805 137 I 4.1985 8.4829 123.6313 61.3498 37.6458 176.5961 138 T 4.3007 8.9171 117.5386 61.2522 70.4792 175.5732 139 Y 4.4777 9.0699 123.7842 60.0279 38.9783 175.8214 140 P 4.1745 0.0000 0.0000 66.1657 30.9078 178.1847 141 Q 4.0091 8.1708 117.6062 58.8385 28.5739 179.0743 142 G 3.1499 7.4673 107.9586 46.6945 0.0000 175.4729 143 L 3.2963 7.2253 122.6726 57.6856 42.1845 178.9677 144 A 3.8817 8.1525 121.0101 55.4827 18.2966 179.5537 145 M 3.8509 8.1319 117.1357 58.1219 31.9269 178.8578 146 A 3.8201 7.8941 121.2453 55.1694 18.1872 179.4673 147 K 3.7425 8.0206 118.0206 59.7106 31.8420 178.5063 148 E 3.7007 7.6843 118.7336 58.3520 29.6874 177.7339 149 I 3.2105 7.2094 110.0425 59.2057 38.9766 175.2383 150 G 3.6325 7.1910 107.3033 46.5653 0.0000 173.7619 151 A 4.5908 7.6446 120.1073 51.1326 20.4819 178.6846 152 V 3.9264 8.2283 113.6721 63.7085 32.2282 176.4978 153 K 4.5053 7.7211 119.1657 55.5825 35.3121 173.0314 154 Y 5.1397 8.5027 125.9948 55.9349 41.5850 174.2516 155 L 4.6355 8.0581 124.6684 53.0092 46.4900 175.0465 156 E 5.0591 8.3689 120.6567 54.9287 33.4873 174.5593 157 C 4.7047 8.5823 116.5774 57.5973 33.9005 172.4254 158 S 4.8070 8.5021 112.9188 56.7064 65.0170 174.6731 159 A 4.0507 8.6898 129.7113 54.8395 18.9910 178.8899 160 L 2.6593 7.6165 116.8352 57.9973 41.7930 177.9073 161 T 4.2568 7.5479 104.7270 60.6403 69.0364 174.2387 162 Q 3.4512 7.5003 119.2776 56.9124 27.1583 173.4597 163 R 4.0683 7.7003 118.1029 56.5574 30.6864 177.2044 164 G 4.0071 8.9211 112.2259 45.8159 0.0000 174.8004 165 L 3.9967 7.6027 121.7691 57.4349 42.5004 178.8894 166 K 4.3199 8.2505 119.7040 59.7126 32.1580 178.7352 167 T 3.9151 7.8898 109.7173 64.5044 68.7719 176.2809 168 V 3.3470 7.4028 121.3277 66.0464 31.3148 177.7867 169 F 4.2707 7.4248 112.5775 59.1504 38.8159 177.7520 170 D 4.4453 7.7266 119.1237 57.3457 40.7326 178.4905 171 E 4.0246 8.9991 119.5301 59.1091 28.9596 179.2615 172 A 3.9544 7.8889 120.9073 55.3405 18.4281 179.8337 173 I 3.8123 7.6446 118.2566 64.4677 36.9415 178.7125 174 R 3.9786 8.2747 119.0201 59.1610 29.9366 178.1473 175 A 4.1328 8.0613 120.3547 54.5211 18.3946 179.0727 176 V 4.1429 7.1918 114.6310 63.9411 32.1978 175.8992 177 L 4.2681 8.1078 119.9090 54.7896 40.4733 175.7686 178 C 3.6552 8.6654 120.2822 58.2728 27.0335 171.9438 179 P 4.5392 0.0000 0.0000 62.3726 31.8373 173.6312 180 P 4.3850 0.0000 0.0000 61.9214 31.5646 174.3959 181 P 4.2563 0.0000 0.0000 62.3232 31.5370 176.8974 182 V 3.7648 8.2757 123.0913 63.1217 31.8930 175.5605 183 K 4.2189 8.5084 120.5054 55.8671 32.3779 177.1777 184 K 3.7135 8.1126 119.4010 57.8803 29.1718 175.1123 185 R 4.0715 7.5971 117.0530 56.5763 30.3041 178.5186 186 K 3.9585 8.8309 112.8852 59.5001 29.6563 177.9993 187 R 4.2439 7.7903 118.5742 55.6134 26.9933 178.3523 188 K 4.2326 7.9468 120.5103 55.9747 32.6999 176.0379 189 C 4.4871 8.8045 123.0458 59.9379 32.4898 172.4084 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 P 0.00 4.44 0.00 2.18 2.07 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 2 Q 8.62 4.35 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 3 A 9.26 5.19 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 4 I 8.35 4.61 1.94 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 1.27 0.95 0.98 0.00 0.00 5 K 9.69 4.95 0.00 1.90 1.75 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.57 1.69 7.81 6 C 9.82 5.50 0.00 3.11 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 7 V 8.61 4.99 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 0.64 0.00 0.00 1.18 0.00 0.00 8 V 8.84 4.72 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 0.98 0.00 0.00 1.08 0.00 0.00 9 V 9.69 4.43 1.71 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 0.87 0.00 0.00 1.08 0.00 0.00 10 G 6.58 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 11 D 8.05 4.84 0.00 2.89 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 12 G 8.55 3.72 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 0.00 0.00 0.00 13 A 8.71 3.81 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 14 V 7.39 3.78 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 0.82 0.00 0.00 0.99 0.00 0.00 15 G 8.48 4.04 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 0.00 0.00 0.00 16 K 8.38 4.00 0.00 1.81 1.96 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 17 T 7.79 4.01 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 1.38 0.00 0.00 18 C 8.04 4.14 0.00 3.06 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 19 L 7.94 4.00 0.00 1.90 1.82 0.87 0.65 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 20 L 7.59 3.99 0.00 1.34 1.34 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.40 3.22 1.64 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 0.77 0.15 0.76 0.00 0.00 22 S 8.02 4.52 0.00 4.12 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 23 Y 7.16 4.09 0.00 2.95 2.89 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 24 T 7.56 3.75 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 1.20 0.00 0.00 25 T 7.56 4.17 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 1.09 0.00 0.00 26 N 7.87 4.25 0.00 2.86 2.89 0.00 0.00 6.88 7.84 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 27 A 7.56 4.63 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 28 F 8.82 4.47 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.17 0.00 1.97 1.83 0.00 3.51 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 30 G 7.47 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 0.00 0.00 0.00 31 E 7.58 3.92 0.00 1.90 1.87 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 2.27 2.34 0.00 *32 Y 7.48 4.09 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.95 4.57 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.88 0.00 0.00 34 P 0.00 4.53 0.00 2.24 1.99 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 2.11 2.12 0.00 35 T 8.66 3.99 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 1.27 0.00 0.00 36 V 7.44 4.53 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 0.88 0.00 0.00 0.92 0.00 0.00 37 F 9.19 4.39 0.00 2.95 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 38 D 7.74 4.15 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 0.00 0.00 0.00 39 N 8.07 3.95 0.00 1.44 2.06 0.00 0.00 6.76 7.54 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 40 Y 8.24 4.57 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.31 3.81 0.00 2.16 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 0.00 2.31 2.40 0.00 92 N 8.19 4.62 0.00 3.30 3.08 0.00 0.00 6.60 7.35 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 93 V 8.03 3.93 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 1.16 0.00 0.00 0.99 0.00 0.00 94 R 7.71 4.06 0.00 1.94 1.89 0.00 3.10 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 95 A 7.59 4.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.85 4.10 0.00 1.48 1.44 0.00 1.01 0.00 0.00 1.24 0.00 0.00 2.66 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.21 7.81 97 W 7.75 4.34 0.00 3.55 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.46 4.40 0.00 3.01 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 99 P 0.00 3.68 0.00 2.11 2.06 0.00 3.74 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 2.16 1.96 0.00 100 E 7.93 3.81 0.00 2.05 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 0.00 2.38 2.41 0.00 101 V 8.62 3.14 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 1.01 0.00 0.00 1.16 0.00 0.00 102 R 7.85 3.80 0.00 1.78 1.66 0.00 3.55 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 103 H 7.80 4.13 0.00 3.09 3.44 0.00 5.79 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 0.00 104 H 7.72 4.57 0.00 2.75 3.15 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 7.61 4.80 0.00 3.01 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.35 0.00 2.01 1.94 0.00 3.79 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 1.98 2.02 0.00 107 N 8.65 4.15 0.00 2.79 2.80 0.00 0.00 6.72 7.54 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 0.00 108 T 7.28 4.80 4.46 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 1.25 0.00 0.00 109 P 0.00 4.48 0.00 2.13 2.20 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.03 0.00 110 I 8.40 5.09 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.26 0.98 0.00 0.00 111 I 8.68 4.95 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.85 0.88 0.00 0.00 112 L 8.45 4.97 0.00 1.86 1.85 1.18 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 9.12 4.60 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 0.74 0.00 0.00 0.79 0.00 0.00 114 G 8.53 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 0.00 0.00 0.00 115 T 8.33 4.68 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 1.08 0.00 0.00 116 K 8.46 3.76 0.00 1.93 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.39 1.35 7.81 117 L 7.80 4.05 0.00 1.75 1.57 0.90 0.91 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 0.00 118 D 7.92 4.48 0.00 2.72 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 0.00 119 L 8.24 4.41 0.00 1.74 1.71 0.91 0.80 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 0.00 120 R 7.63 4.15 0.00 1.93 1.99 0.00 3.31 0.00 0.00 3.47 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 121 D 7.89 4.63 0.00 2.63 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 0.00 122 D 7.38 4.29 0.00 2.90 2.58 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 0.00 0.00 0.00 0.00 123 K 8.77 3.92 0.00 1.78 1.86 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.41 7.81 124 D 8.38 4.59 0.00 2.96 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 0.00 125 T 8.10 3.90 4.39 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 1.22 0.00 0.00 126 I 7.38 4.12 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 1.30 0.71 0.91 0.00 0.00 127 E 8.41 4.49 0.00 2.18 1.92 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 2.21 2.51 0.00 128 K 7.82 4.10 0.00 1.72 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.25 7.81 129 L 7.97 4.35 0.00 1.98 1.68 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.13 4.03 0.00 1.91 1.89 0.00 2.14 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 131 E 8.10 4.61 0.00 2.03 1.79 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 2.18 2.13 0.00 132 K 8.04 4.57 0.00 1.89 1.79 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.59 7.81 133 K 8.35 4.08 0.00 1.93 1.94 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.40 7.81 134 L 7.39 4.81 0.00 1.77 1.56 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.11 4.66 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 1.22 0.00 0.00 136 P 0.00 4.52 0.00 1.96 2.03 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 137 I 8.48 4.20 1.88 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.68 0.42 0.00 0.00 138 T 8.92 4.30 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 139 Y 9.07 4.48 0.00 3.13 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 0.00 140 P 0.00 4.17 0.00 2.30 2.36 0.00 3.78 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 141 Q 8.17 4.01 0.00 2.19 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 142 G 7.47 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 0.00 0.00 0.00 143 L 7.23 3.30 0.00 1.33 1.59 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.15 3.88 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 0.00 145 M 8.13 3.85 0.00 1.80 2.25 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 2.27 0.00 146 A 7.89 3.82 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 0.00 147 K 8.02 3.74 0.00 1.76 1.90 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 148 E 7.68 3.70 0.00 2.06 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 2.17 2.21 0.00 149 I 7.21 3.21 0.56 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 1.48 0.52 0.37 0.00 0.00 150 G 7.19 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 0.00 151 A 7.64 4.59 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 0.00 152 V 8.23 3.93 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 0.65 0.00 0.00 0.94 0.00 0.00 153 K 7.72 4.51 0.00 1.80 1.59 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.43 7.81 154 Y 8.50 5.14 0.00 2.98 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 0.00 155 L 8.06 4.64 0.00 1.40 1.29 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.37 5.06 0.00 1.83 1.71 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 1.95 2.12 0.00 157 C 8.58 4.70 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.50 4.81 0.00 3.89 3.60 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 0.00 159 A 8.69 4.05 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 0.00 160 L 7.62 2.66 0.00 0.82 1.51 0.74 0.11 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 0.00 161 T 7.55 4.26 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 1.10 0.00 0.00 162 Q 7.50 3.45 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 163 R 7.70 4.07 0.00 1.76 1.75 0.00 3.17 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 164 G 8.92 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 0.00 0.00 0.00 0.00 165 L 7.60 4.00 0.00 1.79 1.80 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.25 4.32 0.00 1.93 1.86 0.00 1.94 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.52 7.81 167 T 7.89 3.92 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 1.22 0.00 0.00 168 V 7.40 3.35 1.78 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 0.24 0.00 0.00 0.80 0.00 0.00 169 F 7.42 4.27 0.00 2.89 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 0.00 170 D 7.73 4.45 0.00 2.96 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 0.00 171 E 9.00 4.02 0.00 2.08 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 2.47 2.45 0.00 172 A 7.89 3.95 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 0.00 173 I 7.64 3.81 2.08 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 1.50 0.92 0.96 0.00 0.00 174 R 8.27 3.98 0.00 2.01 2.06 0.00 3.35 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 175 A 8.06 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 0.00 176 V 7.19 4.14 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 0.91 0.00 0.00 1.02 0.00 0.00 177 L 8.11 4.27 0.00 1.74 1.66 0.95 0.85 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 0.00 178 C 8.67 3.66 0.00 3.28 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 P 0.00 4.54 0.00 2.21 2.30 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 180 P 0.00 4.39 0.00 2.21 2.11 0.00 3.78 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 2.00 2.00 0.00 181 P 0.00 4.26 0.00 2.07 2.05 0.00 3.70 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 2.08 0.00 182 V 8.28 3.76 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 0.80 0.00 0.00 0.94 0.00 0.00 183 K 8.51 4.22 0.00 1.79 1.82 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.46 7.81 184 K 8.11 3.71 0.00 1.89 1.86 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.42 7.81 185 R 7.60 4.07 0.00 1.73 1.85 0.00 3.40 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.00 186 K 8.83 3.96 0.00 1.86 1.89 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.41 7.81 187 R 7.79 4.24 0.00 1.78 1.76 0.00 3.30 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 188 K 7.95 4.23 0.00 1.75 1.75 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 189 C 8.80 4.49 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.