NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.1797 8.3349 115.3722 57.4716 64.3147 173.6075 20 W 4.3854 8.1770 123.4663 56.1122 29.8300 174.4265 21 K 4.2674 9.1651 120.7042 56.3346 33.9444 176.0176 22 R 4.8779 8.2810 121.3895 55.1733 31.9794 175.6143 23 C 4.4573 8.8124 123.5513 58.8399 32.1833 174.5875 24 A 3.6882 7.8908 129.3783 54.2069 18.2049 178.8548 25 G 4.0502 7.7838 104.5712 47.5833 0.0000 174.2416 26 C 4.6694 7.7851 111.5392 56.4806 30.9710 175.4996 27 G 3.7973 8.4715 108.5222 45.7034 0.0000 174.0449 28 G 4.0286 7.3298 107.0087 45.1104 0.0000 173.8570 29 K 4.6097 8.5735 120.4113 56.4380 33.0855 177.0845 30 I 4.0536 8.5055 125.4362 60.0236 37.3466 175.5533 31 A 2.5800 7.9500 129.2274 51.1193 19.6083 176.8503 32 D 4.3887 7.3999 115.9743 53.9170 41.6993 176.4450 33 R 3.8371 8.5930 123.0076 58.6520 31.1290 176.1159 34 F 5.5370 7.9577 115.7831 55.6835 42.1455 174.6764 35 L 4.8527 9.1341 121.8754 54.9884 44.5031 174.1138 36 L 5.4949 9.0612 117.3563 53.2621 45.8603 175.3421 37 Y 5.3663 8.9937 122.3749 56.0372 41.7001 174.1801 38 A 4.5063 9.2954 126.0226 51.7260 23.4232 175.6541 39 M 3.1452 9.3769 117.2449 56.6833 29.6632 177.6782 40 D 4.2875 8.0307 113.8495 54.6959 38.6002 173.7401 41 S 4.5900 7.2715 114.6389 56.8921 67.5494 172.6384 42 Y 5.1946 8.1656 118.2169 56.9084 40.4883 174.8699 43 W 5.5127 9.1394 120.5095 55.1954 34.3383 174.5984 44 H 4.6209 9.0232 120.7409 55.9672 29.2794 176.3872 45 S 4.2022 9.0976 118.1883 61.6614 61.9763 176.7129 46 R 4.0762 8.0631 116.7521 58.7308 29.2903 177.5010 47 C 4.7353 8.0616 115.8926 59.3941 29.1918 173.3071 48 L 4.0689 7.7206 123.2494 53.0319 40.8295 174.8700 49 K 5.0440 7.8044 123.5787 53.8328 36.0442 176.1535 50 C 4.3990 8.6905 122.7507 59.4243 31.9901 175.0046 51 S 4.1674 9.2283 124.0640 61.6446 62.8426 175.9449 52 S 4.3000 8.2114 113.8857 60.5817 62.1278 174.3011 53 C 4.5570 7.8690 111.9083 57.1470 30.4131 174.4493 54 Q 3.9064 8.3974 117.7772 56.5131 26.7123 173.5489 55 A 4.0118 7.2436 121.3524 52.3298 19.0212 178.1500 56 Q 4.5942 8.4263 120.4805 54.8211 28.0015 176.7120 57 L 3.9402 8.6007 125.1831 57.8014 41.8648 180.5252 58 G 3.6082 7.9304 103.3043 46.8945 0.0000 174.4702 59 D 4.6601 7.7738 120.2799 56.2095 41.7086 178.4742 60 I 4.0601 7.7524 112.4733 65.0082 38.2545 175.4443 61 G 4.0561 7.7905 107.0088 45.4602 0.0000 172.4529 62 T 4.6437 8.3870 109.2702 61.5808 70.1790 173.7963 63 S 5.0071 7.8048 115.5349 57.5794 66.2610 172.9672 64 S 4.9905 8.7884 115.0385 56.7175 66.6668 172.2531 65 Y 4.9023 8.8813 117.5613 56.2054 41.1537 174.7812 66 T 5.0836 8.2206 114.5075 59.9597 70.8947 173.9728 67 K 4.1327 9.0678 122.8723 56.9198 35.6825 174.8528 68 S 3.8557 9.8360 120.4981 59.7109 60.3185 173.5660 69 G 3.9887 8.5949 107.0821 45.5883 0.0000 173.8199 70 M 4.7459 7.8722 119.2681 53.6986 35.2876 175.0462 71 I 4.9224 8.5462 121.5614 59.7226 40.1019 174.7547 72 L 5.2738 9.1306 127.4246 52.5639 45.5200 176.5533 73 C 4.7128 8.6151 116.5399 57.7060 30.8284 174.5363 74 R 3.7057 8.9096 120.0725 59.9133 29.5155 178.2802 75 N 4.2978 8.1238 115.4773 56.5572 38.5654 177.0163 76 D 4.3769 8.0416 119.5952 56.9252 40.9245 178.1189 77 Y 4.1223 8.1338 120.4974 60.6859 38.7712 177.8511 78 I 3.1879 7.6947 120.8941 64.3089 36.9800 178.4066 79 R 3.7172 7.6332 117.8959 59.3809 30.0040 178.1257 80 L 3.8514 7.6656 117.4144 56.1497 41.8297 177.5569 81 F 4.6107 7.6616 113.9374 56.4411 40.8504 175.5952 82 G 3.4572 7.9334 109.9923 44.8546 0.0000 173.5254 83 N 4.6501 8.3633 117.9265 52.4375 38.9949 175.3454 84 S 4.5758 8.5372 119.0688 58.1991 64.8289 173.5724 85 G 4.2629 8.6811 106.4200 45.3161 0.0000 170.9928 86 A 5.0868 8.2538 120.2223 50.4442 22.6061 176.0875 87 C 4.2706 8.8663 122.5624 58.9525 32.0424 175.0746 88 S 3.9612 8.4274 123.1385 61.2969 62.8209 175.9810 89 A 4.2589 8.2064 122.7632 54.9387 18.1420 177.9543 90 C 4.4715 8.2045 108.3652 57.6148 30.8142 175.4484 91 G 3.7504 8.4800 109.0673 45.4243 0.0000 173.6054 92 Q 4.5466 7.3487 119.1848 54.6636 30.3399 175.8471 93 S 4.6306 8.6935 116.9732 58.9505 64.0618 173.3982 94 I 4.5866 8.6172 122.1992 58.8908 40.0550 173.7143 95 P 4.6308 0.0000 0.0000 62.0035 32.3160 177.3420 96 A 4.0448 8.7999 125.1814 55.1884 18.3222 179.6555 97 S 4.3670 7.8406 108.1450 59.4364 64.0855 173.8240 98 E 4.3923 7.9857 123.6054 55.3765 30.8177 175.5655 99 L 4.7214 8.4022 125.6749 54.9688 42.7569 176.6338 100 V 4.6586 9.0856 114.8307 60.0033 36.4363 174.5708 101 M 4.4471 8.5294 122.1461 54.2925 33.8493 175.4783 102 R 5.2880 8.0101 119.4137 54.6224 33.7786 175.2489 103 A 4.6455 9.2406 124.6716 52.5941 22.5875 176.4854 104 Q 3.3112 9.7600 121.7257 56.9531 26.3819 175.0102 105 G 3.8776 8.4121 102.3623 45.8268 0.0000 173.4533 106 N 4.9525 8.2749 117.4225 51.4978 41.7293 174.1424 107 V 4.9038 7.7396 112.2483 59.9473 35.8077 174.4937 108 Y 4.9952 8.9795 120.2778 56.1626 42.4611 174.9765 109 H 4.5984 8.8582 119.3554 55.9323 30.0049 176.4222 110 L 3.9746 8.8312 123.0893 58.1897 41.5165 179.3895 111 K 4.3280 8.0267 114.1227 57.7444 32.2445 177.1563 112 C 4.4953 8.1560 116.2281 60.1371 29.1060 174.4843 113 F 4.3106 7.8133 124.3729 56.5023 37.2595 173.9644 114 T 4.8985 6.9877 112.8617 58.6658 72.2909 174.1694 115 C 4.2081 8.7438 123.4546 59.1635 31.9020 174.9926 116 S 4.0102 9.0976 124.5621 61.4653 62.5199 175.7923 117 T 4.2697 7.8025 116.4338 65.6762 68.7827 175.5734 118 C 4.2800 7.9187 114.1393 58.2053 30.5367 174.7628 119 R 4.0755 8.0913 118.0125 56.0197 28.2760 176.0021 120 N 4.4401 7.7429 116.0901 53.4894 39.7801 174.0385 121 R 4.4750 8.4596 123.4985 56.1966 30.8397 175.7079 122 L 4.6516 8.5041 126.9683 54.2662 42.9146 176.6906 123 V 4.5685 9.1534 115.0438 58.4841 35.7595 173.3466 124 P 4.4808 0.0000 0.0000 64.7832 31.5094 176.5814 125 G 4.1118 9.0482 111.1037 45.3852 0.0000 173.8600 126 D 4.5789 7.9677 119.6164 54.7547 41.9309 176.2458 127 R 5.0634 8.5900 121.4233 56.0438 31.5109 175.4985 128 F 5.1315 9.3889 117.1565 56.3887 42.1478 172.3825 129 H 5.1520 9.6715 115.6727 54.0931 32.6712 172.5124 130 Y 5.2133 8.5088 121.2329 56.1025 42.2625 174.2723 131 I 4.5419 8.4515 127.1161 60.2486 39.8369 175.1957 132 N 4.3166 9.7284 125.4254 54.2656 35.7675 175.8810 133 G 4.0559 7.0893 105.2537 45.5452 0.0000 173.5968 134 S 4.4249 7.3806 116.6413 57.0764 64.4643 173.1563 135 L 5.0849 7.6407 124.2996 53.2042 43.9426 175.6190 136 F 5.0009 9.0977 121.0914 55.6811 43.3739 174.8086 137 C 4.7369 8.7860 117.5539 57.2336 30.6816 173.9326 138 E 3.8533 8.7686 120.6078 59.3726 28.9969 177.0926 139 H 4.8282 8.0096 112.4772 55.8996 29.2502 174.6949 140 D 4.9691 7.9372 120.1437 53.0788 41.5421 176.3246 141 R 3.6435 8.2879 119.2381 56.6926 30.6887 175.8472 142 P 4.2807 0.0000 0.0000 61.6059 28.0713 176.2639 143 T 3.6636 7.5748 116.8727 65.9035 67.8507 174.3811 144 A 4.0813 7.7328 121.3137 55.0680 18.5398 179.1441 145 L 4.0109 7.5786 115.9643 57.0802 42.1178 178.2859 146 I 3.7557 7.0922 118.3365 61.2090 37.6769 176.1682 *298 G 4.0057 8.5391 111.0850 45.7159 0.0000 174.6793 299 G 3.6492 7.9937 106.8213 47.1477 0.0000 173.4411 300 D 4.3405 7.9390 120.6385 54.3414 41.1030 175.8339 301 V 3.8677 8.2915 124.9530 62.8265 32.3341 174.9814 302 M 4.7148 8.8279 127.1913 53.4323 35.6231 174.5730 303 V 4.9861 8.1371 120.3424 61.0197 33.7588 175.4741 304 V 3.8549 9.1815 129.2160 63.1385 32.3939 175.9610 305 G 4.3359 8.6145 115.1321 44.8768 0.0000 173.0657 306 E 4.2056 8.5414 119.4324 55.4302 30.0244 175.6537 307 P 4.7346 0.0000 0.0000 63.1972 32.4346 175.3802 308 T 4.7789 8.4268 110.4625 59.8440 72.9405 173.1060 309 L 4.5016 8.3759 122.0869 54.8983 42.4896 178.0088 310 M 3.9441 8.7066 123.7922 58.7405 32.3047 178.2062 311 G 3.8189 7.9664 106.1431 46.1884 0.0000 175.3630 312 G 3.8415 7.4775 107.7769 45.6469 0.0000 173.0044 313 E 4.3281 8.6701 120.3785 56.0195 30.4214 175.8480 314 F 5.0435 7.8154 115.6376 54.7037 41.1327 174.5873 315 G 3.9578 9.0284 110.4640 45.2647 0.0000 172.9098 316 D 5.0359 8.3777 116.2074 52.8121 39.4710 178.3402 317 E 4.0049 8.3463 120.7058 59.4448 29.7476 177.6576 318 D 4.6980 8.0189 117.1716 53.8943 41.7469 175.1867 319 E 3.5365 7.6601 121.6294 55.5768 30.5479 176.2678 320 R 4.4090 8.6522 125.0149 54.0446 33.4377 174.9470 321 L 4.4262 8.5445 124.0977 54.8879 42.6170 176.6578 322 I 4.5768 8.3221 122.8327 60.0422 39.2217 175.2111 323 T 4.6200 8.8976 123.7162 61.8691 70.8251 173.6817 324 R 4.8241 8.6791 125.9411 55.5548 31.1010 175.8620 325 L 4.9583 9.1869 124.1344 52.8814 45.3444 175.0189 326 E 4.8178 8.7406 122.8732 54.7537 31.2464 175.2066 327 N 4.6219 9.0775 124.7608 53.9350 38.6561 174.5127 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 19 S 8.33 4.18 0.00 3.93 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 20 W 8.18 4.39 0.00 3.32 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 21 K 9.17 4.27 0.00 1.35 1.29 0.00 1.23 0.00 0.00 1.59 0.00 0.00 2.59 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.09 0.21 7.81 22 R 8.28 4.88 0.00 1.66 1.80 0.00 3.19 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 23 C 8.81 4.46 0.00 2.86 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 24 A 7.89 3.69 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.78 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 26 C 7.79 4.67 0.00 3.09 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 27 G 8.47 3.80 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 0.00 0.00 0.00 28 G 7.33 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 29 K 8.57 4.61 0.00 1.68 1.83 0.00 2.05 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.54 7.81 30 I 8.51 4.05 1.73 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 0.68 0.32 0.77 0.00 0.00 31 A 7.95 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.40 4.39 0.00 2.71 2.67 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 33 R 8.59 3.84 0.00 1.68 1.57 0.00 2.94 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 34 F 7.96 5.54 0.00 2.98 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 35 L 9.13 4.85 0.00 2.00 1.83 1.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.06 5.49 0.00 1.79 1.64 0.88 0.64 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 37 Y 8.99 5.37 0.00 2.89 2.73 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 38 A 9.30 4.51 1.05 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 39 M 9.38 3.15 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 40 D 8.03 4.29 0.00 2.75 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 41 S 7.27 4.59 0.00 3.54 3.03 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 42 Y 8.17 5.19 0.00 3.09 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 43 W 9.14 5.51 0.00 3.25 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 44 H 9.02 4.62 0.00 3.35 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 9.10 4.20 0.00 3.95 3.93 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 46 R 8.06 4.08 0.00 2.02 2.08 0.00 3.06 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 47 C 8.06 4.74 0.00 3.43 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 48 L 7.72 4.07 0.00 1.14 1.29 -0.44 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.80 5.04 0.00 1.72 1.63 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.48 7.81 50 C 8.69 4.40 0.00 2.95 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.23 4.17 0.00 3.90 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 52 S 8.21 4.30 0.00 3.83 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 53 C 7.87 4.56 0.00 3.11 3.25 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 0.00 54 Q 8.40 3.91 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 55 A 7.24 4.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.43 4.59 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 57 L 8.60 3.94 0.00 1.56 1.63 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.93 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 59 D 7.77 4.66 0.00 2.66 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 60 I 7.75 4.06 1.87 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 1.74 0.52 0.93 0.00 0.00 61 G 7.79 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 0.00 0.00 0.00 62 T 8.39 4.64 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 63 S 7.80 5.01 0.00 3.70 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 64 S 8.79 4.99 0.00 3.73 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.88 4.90 0.00 2.77 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 66 T 8.22 5.08 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 67 K 9.07 4.13 0.00 1.69 1.26 0.00 1.74 0.00 0.00 0.82 0.00 0.00 2.59 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.42 1.05 7.81 68 S 9.84 3.86 0.00 4.20 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 69 G 8.59 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 0.00 0.00 0.00 70 M 7.87 4.75 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 71 I 8.55 4.92 1.84 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 1.22 0.96 0.77 0.00 0.00 72 L 9.13 5.27 0.00 1.72 1.66 1.27 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.62 4.71 0.00 3.14 3.09 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 0.00 0.00 0.00 0.00 74 R 8.91 3.71 0.00 2.13 2.07 0.00 3.31 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 75 N 8.12 4.30 0.00 2.77 2.84 0.00 0.00 7.10 8.08 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 76 D 8.04 4.38 0.00 2.71 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 77 Y 8.13 4.12 0.00 2.92 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.69 3.19 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.30 0.77 0.00 0.00 79 R 7.63 3.72 0.00 1.83 1.99 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 80 L 7.67 3.85 0.00 1.23 0.64 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.66 4.61 0.00 2.27 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 3.46 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 0.00 0.00 0.00 83 N 8.36 4.65 0.00 2.64 2.77 0.00 0.00 6.60 7.20 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 84 S 8.54 4.58 0.00 3.97 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 85 G 8.68 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 0.00 0.00 0.00 0.00 86 A 8.25 5.09 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 87 C 8.87 4.27 0.00 2.76 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 88 S 8.43 3.96 0.00 3.11 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 89 A 8.21 4.26 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 90 C 8.20 4.47 0.00 3.14 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.48 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 92 Q 7.35 4.55 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 93 S 8.69 4.63 0.00 3.84 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 94 I 8.62 4.59 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.71 0.88 0.00 0.00 95 P 0.00 4.63 0.00 2.03 1.91 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 96 A 8.80 4.04 1.25 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 0.00 0.00 0.00 97 S 7.84 4.37 0.00 3.97 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 98 E 7.99 4.39 0.00 2.09 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 2.29 2.29 0.00 99 L 8.40 4.72 0.00 1.56 1.55 0.91 0.84 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 0.00 100 V 9.09 4.66 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 0.70 0.00 0.00 0.96 0.00 0.00 101 M 8.53 4.45 0.00 0.51 1.04 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.40 0.00 102 R 8.01 5.29 0.00 1.61 1.79 0.00 3.20 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 103 A 9.24 4.65 1.61 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 0.00 104 Q 9.76 3.31 0.00 1.33 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.03 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 105 G 8.41 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 0.00 0.00 0.00 106 N 8.27 4.95 0.00 2.76 2.35 0.00 0.00 6.77 7.60 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 0.00 107 V 7.74 4.90 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 0.71 0.00 0.00 0.83 0.00 0.00 108 Y 8.98 5.00 0.00 2.90 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 0.00 109 H 8.86 4.60 0.00 3.33 3.25 0.00 5.83 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.83 3.97 0.00 1.77 1.75 0.91 0.68 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 0.00 111 K 8.03 4.33 0.00 1.76 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 112 C 8.16 4.50 0.00 3.31 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 0.00 113 F 7.81 4.31 0.00 3.01 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 0.00 114 T 6.99 4.90 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 1.20 0.00 0.00 115 C 8.74 4.21 0.00 2.88 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 0.00 116 S 9.10 4.01 0.00 2.91 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 0.00 117 T 7.80 4.27 4.52 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 1.33 0.00 0.00 118 C 7.92 4.28 0.00 3.09 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.09 4.08 0.00 2.01 2.14 0.00 3.16 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 120 N 7.74 4.44 0.00 2.71 2.73 0.00 0.00 6.73 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 0.00 121 R 8.46 4.48 0.00 1.82 1.83 0.00 3.24 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 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0.00 0.00 0.00 1.07 0.41 0.86 0.00 0.00 *298 G 8.54 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 0.00 299 G 7.99 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 0.00 300 D 7.94 4.34 0.00 2.67 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 0.00 301 V 8.29 3.87 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 0.70 0.00 0.00 0.93 0.00 0.00 302 M 8.83 4.71 0.00 1.50 0.71 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 303 V 8.14 4.99 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 0.84 0.00 0.00 0.97 0.00 0.00 304 V 9.18 3.85 2.29 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 0.98 0.00 0.00 0.82 0.00 0.00 305 G 8.61 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 0.00 0.00 0.00 0.00 306 E 8.54 4.21 0.00 1.95 1.88 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 2.31 2.27 0.00 307 P 0.00 4.73 0.00 1.89 1.92 0.00 3.59 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 1.99 2.02 0.00 308 T 8.43 4.78 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 309 L 8.38 4.50 0.00 1.65 1.64 0.96 0.77 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 0.00 310 M 8.71 3.94 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.66 0.00 311 G 7.97 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 0.00 312 G 7.48 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 0.00 0.00 0.00 313 E 8.67 4.33 0.00 1.99 1.85 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 2.29 2.30 0.00 314 F 7.82 5.04 0.00 3.18 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 0.00 315 G 9.03 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 0.00 316 D 8.38 5.04 0.00 3.00 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 0.00 317 E 8.35 4.00 0.00 2.16 2.30 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 2.44 2.34 0.00 318 D 8.02 4.70 0.00 2.68 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 0.00 319 E 7.66 3.54 0.00 1.64 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 1.91 1.47 0.00 320 R 8.65 4.41 0.00 1.48 1.67 0.00 3.26 0.00 0.00 3.06 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 321 L 8.54 4.43 0.00 1.49 1.56 0.89 0.79 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 0.00 322 I 8.32 4.58 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.43 0.87 0.00 0.00 323 T 8.90 4.62 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 1.25 0.00 0.00 324 R 8.68 4.82 0.00 1.73 1.92 0.00 3.32 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 325 L 9.19 4.96 0.00 1.69 1.63 1.12 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 326 E 8.74 4.82 0.00 2.14 1.88 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 2.09 1.93 0.00 327 N 9.08 4.62 0.00 2.85 2.64 0.00 0.00 7.05 7.87 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 * Residues marked with a * may have inaccurate shift predictions.