NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Y 4.5294 8.1449 121.6850 57.5301 40.2510 174.4015 *6 R 4.2798 8.1995 119.0758 55.9948 31.8801 178.3705 7 F 4.4934 7.8631 111.9310 59.8468 38.3155 177.4366 8 T 4.0856 6.5380 117.5721 65.8436 68.0884 176.1254 9 E 3.9939 7.5866 119.5214 58.8150 29.9122 177.2860 10 N 4.6676 8.1646 114.9312 53.5474 39.2799 176.0606 11 F 4.1331 7.9581 122.0962 62.2750 39.4651 176.1867 12 E 3.8002 8.4191 118.1205 59.5649 29.3550 178.7315 13 R 3.7765 7.8827 117.6761 59.1773 30.1390 178.1074 14 A 3.6670 8.0386 120.9320 54.9163 18.3125 179.5190 15 K 2.6796 7.4539 118.3868 58.8134 31.8718 178.7848 16 K 3.7244 7.1984 118.4728 59.5666 32.2072 178.2092 17 E 3.9874 7.6238 116.9302 59.3722 29.7230 178.9188 18 A 4.1453 7.9147 121.0305 55.0217 18.2717 180.0755 19 L 3.9038 7.8765 113.9870 55.9032 41.4322 178.9799 *21 S 4.2887 8.0096 116.2704 58.2481 64.2352 175.6622 22 L 4.0120 7.8943 121.5751 57.9068 41.6477 178.5182 23 E 3.9137 8.4587 119.6771 59.1953 29.4712 178.8692 24 I 3.6528 7.7139 119.1887 64.3621 37.2032 178.0754 25 A 4.0049 7.8463 121.0876 55.1402 18.1734 179.7509 26 L 3.9204 8.1715 117.6932 57.8895 41.5147 179.6680 27 R 4.0080 8.1551 117.7249 58.3916 29.9716 177.6698 28 K 4.4999 7.5351 116.0021 54.6301 32.6579 176.1623 29 G 4.0853 7.8239 106.8546 47.1225 0.0000 173.9494 30 E 4.6392 8.2334 114.7709 55.5824 30.3749 176.6238 31 V 4.2388 7.5700 117.6893 60.5817 34.2134 174.1355 32 D 4.2974 8.8084 126.5464 54.8680 41.0815 177.0937 33 E 3.9626 9.1134 124.4537 59.7282 29.6463 179.4221 34 D 4.4473 8.2215 116.9974 56.4716 41.1051 177.0561 35 I 4.4277 7.6434 110.7777 60.4860 38.3756 177.4004 36 I 3.6637 7.7939 123.9793 64.3059 36.7660 176.3510 37 P 4.2080 0.0000 0.0000 65.5065 31.2671 178.0108 38 L 3.9026 8.0202 118.5722 58.4652 41.8097 178.9479 39 L 3.9601 8.0982 118.5660 57.8566 41.5779 179.7133 40 K 4.0301 8.1418 118.3484 59.3307 31.7142 179.5964 41 K 3.9986 8.1969 118.3103 59.5447 32.3948 179.1157 42 I 3.8673 7.7750 120.0735 64.5539 37.0414 178.3033 43 N 4.6329 8.3922 117.3641 55.7946 38.1802 177.0118 44 S 4.3975 7.8964 114.0472 58.8437 63.6658 174.0083 45 I 4.3536 7.2154 124.7517 59.8517 38.3009 176.0011 46 E 3.9929 9.1207 126.2827 59.6045 29.6246 177.2638 47 N 4.3330 7.9688 113.7633 53.1704 38.5276 173.4440 48 Y 6.0971 7.9353 115.1793 56.1759 42.5792 174.1524 49 F 5.8734 8.6661 113.1574 57.5221 40.8641 172.8438 50 T 5.1745 9.0318 110.4631 60.3645 71.2341 173.1053 51 T 4.7473 8.2815 113.4147 59.2394 72.1637 173.2254 52 S 3.9581 8.5588 116.4353 59.3516 62.6376 174.0885 53 S 5.0495 8.0900 120.4634 57.3231 67.0492 172.6016 54 C 5.5060 8.9457 112.7464 58.8359 32.8002 174.1101 55 S 4.7400 8.8479 116.1024 57.0074 64.5997 173.5268 56 G 3.9005 8.4631 107.3793 47.0837 0.0000 172.9539 57 R 4.9728 8.7308 114.8395 55.1692 33.1883 173.7894 58 I 5.0305 9.1941 122.1876 60.2051 40.3808 174.8107 59 S 5.1883 8.7516 120.1873 57.7316 68.2546 173.1280 60 V 5.3663 8.8739 120.1723 60.0691 35.4237 174.1672 *62 E 5.3460 8.8217 122.8458 55.8474 31.6524 172.6646 *64 P 4.5472 0.0000 0.0000 62.6644 32.0105 175.8575 65 H 4.2853 8.7217 124.9966 56.3334 30.5569 174.8652 66 F 4.8840 8.1234 123.0923 55.5345 40.8034 173.7559 67 G 4.1226 7.6098 116.7904 45.6799 0.0000 172.4225 68 D 4.5629 9.4071 118.5011 54.8662 41.8233 174.6624 69 K 3.7361 8.2322 112.8322 57.2201 30.2147 176.3945 70 V 4.3829 7.3616 115.4308 60.8379 34.7874 173.9200 71 N 4.4154 9.2442 125.8872 56.0925 38.9875 173.8845 72 A 5.1761 7.9435 117.7136 49.7863 21.6695 175.1899 73 K 4.6260 8.4432 123.1584 54.3329 34.7029 175.2968 74 W 4.4836 9.0736 127.5157 55.7201 29.5647 176.4793 75 L 4.3149 9.0791 125.3692 55.4603 42.0553 177.0890 76 G 3.6697 7.2765 102.9729 45.3395 0.0000 172.8307 77 K 4.8229 7.3160 121.5891 54.1868 36.1004 175.7511 78 W 5.0613 9.4658 124.5463 54.6679 33.2321 176.0069 79 H 5.2402 8.6159 122.7592 54.6516 28.7212 173.6780 80 R 4.5462 7.5490 113.4776 55.3401 31.8165 173.9778 81 E 4.2028 8.7535 117.7128 56.7422 29.8607 177.0615 82 V 4.3377 8.5892 115.2986 59.5044 34.5347 175.3311 83 S 4.6414 9.2730 116.8454 56.2913 65.2115 174.8295 84 L 3.5956 8.3062 124.4447 58.9460 41.7164 179.3225 85 Y 4.3182 7.0067 115.2331 60.6011 37.8670 178.2898 86 E 4.0652 7.9041 120.0007 59.4213 29.5358 179.3477 87 V 3.7061 7.4512 117.7518 66.0354 31.6215 177.8469 88 L 4.0286 7.9920 118.8029 57.7907 41.2100 179.1430 89 E 4.0382 8.1153 118.0095 59.0139 29.8714 178.5296 90 A 4.2693 8.1332 120.6985 55.4063 18.5063 179.5076 91 I 3.7474 8.1275 118.5032 64.7244 36.9642 178.7634 92 K 3.9976 7.9945 118.0952 59.0313 31.9297 178.6606 93 K 4.2458 7.8388 116.6725 56.4981 32.5245 176.8036 94 H 4.5987 7.9078 120.6974 56.5596 30.4669 173.8089 95 R 4.3536 9.5048 124.5165 57.1794 32.2919 175.5372 96 S 4.6086 7.6573 108.5885 57.1696 66.6506 174.7665 97 G 3.9130 8.2194 108.0457 44.9371 0.0000 172.1972 98 Q 4.7205 8.4323 116.7928 55.0085 30.8449 174.7068 99 L 4.7349 8.6519 125.5619 53.2814 43.9411 175.1354 100 W 5.3922 8.7137 125.0505 54.8085 33.4070 173.8677 101 F 5.1706 9.6699 126.3072 56.6895 40.9570 174.1382 102 L 5.1266 8.7683 126.4886 52.9022 44.6887 175.7860 103 V 4.7531 8.2746 120.6323 61.3270 34.7709 174.1579 104 R 4.8720 9.1212 127.1971 54.1465 33.0704 175.7022 105 S 2.9348 8.5690 118.1277 56.7099 63.3118 171.8444 106 P 4.4238 0.0000 0.0000 63.0309 32.1489 175.5591 107 I 4.8339 8.9928 121.5047 59.6357 41.3349 174.2743 108 L 4.9141 8.6804 125.9062 53.1106 45.2920 175.0317 109 H 5.2183 9.0459 120.5575 53.9488 31.6732 173.3293 110 V 4.5616 8.7118 123.3908 60.8131 34.6299 174.8990 111 G 3.0537 8.5836 115.9680 45.5816 0.0000 172.2026 112 A 5.2876 8.2995 124.2315 49.7601 21.1806 176.4450 113 K 3.6004 8.1720 122.3203 58.7267 33.4541 176.8489 114 T 4.7872 7.7232 107.7037 58.6413 72.3247 174.3783 115 L 4.0506 8.6681 122.3097 58.1672 41.8376 178.2573 116 E 3.9334 8.1687 118.8593 59.4306 29.6298 178.4255 117 D 4.3693 8.0392 118.3226 57.1719 40.8555 178.5009 118 A 4.0428 8.0711 121.2605 55.4513 18.4541 179.9305 119 V 3.5987 8.0462 116.6976 66.0261 31.5293 178.4173 120 K 4.0477 7.9936 118.3635 59.1378 31.8557 179.0902 121 L 3.8399 8.0206 120.7871 57.9408 41.9221 179.2202 122 V 3.5302 7.8593 118.1517 66.1836 31.5195 177.8085 123 N 4.3701 8.1475 116.2546 56.1721 38.1202 177.2144 124 L 3.9402 7.8461 120.6796 57.9433 42.4807 178.6259 125 A 4.0989 8.1658 120.8771 55.1502 18.2850 179.6734 126 V 4.1209 8.4370 118.7972 65.7140 31.4384 178.2627 127 S 4.2478 8.1280 111.8896 60.5950 62.8852 174.4323 128 C 4.4597 7.6428 119.3968 59.7340 27.9932 174.3518 129 G 3.9086 8.2888 109.4006 45.3928 0.0000 175.1311 130 F 4.4431 7.9864 119.4606 56.1499 37.4112 176.1692 131 K 4.1164 7.9814 123.1397 58.4956 32.4003 177.4262 132 Y 5.0722 7.4721 115.5093 58.0712 38.2823 175.6679 133 S 4.8493 7.9764 116.4267 58.8874 64.7111 173.2834 134 N 4.7143 8.8485 119.3303 52.9599 41.2897 172.6780 135 I 4.2989 8.3070 120.3299 60.2132 37.2128 176.1002 136 K 4.2634 8.8149 130.5978 59.2327 32.8214 177.0973 137 S 4.6604 7.5365 111.3718 57.4740 66.1409 174.4125 138 I 4.7509 8.2494 121.6285 60.0262 40.5351 174.4873 139 S 4.8568 8.6730 122.3642 56.0554 65.6255 174.2351 140 N 4.8340 8.7281 115.4830 53.6303 37.2109 175.2236 141 K 4.4954 7.6586 117.5057 57.7919 34.3012 176.2616 142 K 4.6965 8.1515 115.4342 55.6960 35.6765 173.7845 143 L 4.8030 8.3404 121.4887 53.3567 44.5154 174.6912 144 I 4.7386 8.2810 127.6787 59.6765 39.4001 174.8207 145 V 4.6232 8.6545 127.5366 61.2273 33.7623 173.8551 146 E 4.9112 9.4842 128.8518 54.4421 32.2163 174.2635 147 I 5.0441 8.4432 128.0463 58.8901 39.5423 174.7044 148 R 5.1533 8.5213 125.7387 55.4979 33.8131 174.1002 149 S 5.2418 8.8130 120.0263 57.2092 64.7420 173.5220 150 T 4.6713 7.8998 108.1524 61.6714 69.2354 173.9682 151 E 4.3545 8.1546 121.9720 56.7451 29.5813 176.2430 152 R 4.6979 7.6301 118.9226 55.4091 31.8768 175.3603 *154 D 4.5541 8.1805 115.9090 54.5147 40.9070 173.1721 155 V 4.3711 9.1067 123.1706 61.0453 33.3187 174.1573 156 L 3.8075 8.4898 130.9312 54.7783 42.0404 176.0522 157 L 4.6693 8.6603 125.7949 54.4757 44.6706 176.0929 158 G 3.8871 7.3911 104.7279 46.1606 0.0000 171.4608 159 E 5.0697 7.8084 119.2250 55.0923 33.5118 174.4969 160 N 4.0984 9.9905 121.5291 54.3252 36.8339 175.4254 161 G 3.7563 8.0090 106.0593 45.1811 0.0000 173.3304 162 E 3.9960 8.0003 121.7952 55.0578 29.8820 175.1535 163 I 4.0807 7.9516 127.8147 60.3424 37.5564 176.0378 164 F 4.6008 8.4601 124.9677 58.7947 39.1924 175.9762 165 V 4.3261 7.5855 112.7895 59.2269 34.7138 175.5057 166 G 4.1291 8.0303 108.1881 43.0269 0.0000 174.0625 167 E 3.9437 8.5230 119.1865 59.3608 29.4806 178.4444 168 E 3.9204 8.1520 118.8656 59.2708 29.7707 177.9824 169 Y 3.9461 7.9423 119.0761 60.7429 38.9651 177.5247 170 L 3.7532 8.0696 121.1842 57.9574 42.0162 178.4421 171 N 4.0809 8.0296 117.0980 56.4662 38.8787 176.9379 172 K 3.9319 7.5518 119.5729 59.4154 32.0320 179.2111 173 I 3.3744 7.0674 119.8437 64.2933 36.9169 178.3350 174 V 3.4139 7.4832 119.0083 66.1794 31.2383 177.6374 175 E 3.8716 7.9134 117.9551 59.7017 29.4522 179.5770 176 I 3.7780 7.6992 119.3017 64.3250 36.9112 178.4087 177 A 4.1262 8.0878 120.8446 55.3073 18.3353 179.1625 178 N 4.4473 8.2400 114.2824 56.4273 38.7240 176.9781 179 D 4.5106 8.2056 120.4153 57.3379 40.8330 179.1408 180 Q 3.9369 7.5432 115.6911 56.4420 28.6952 178.3627 *182 R 4.3145 8.0037 121.6698 56.3844 32.4014 178.2811 183 R 4.0758 7.4090 116.8497 58.8724 29.8516 179.0404 184 F 4.4369 7.7430 117.8510 60.5351 39.0400 177.7174 185 K 4.0761 8.2217 117.8678 59.5097 31.9532 179.0703 186 E 4.0178 8.1124 117.4587 59.5038 29.6773 179.3784 187 K 4.0426 8.2186 119.3984 58.7213 31.5853 178.8537 188 L 4.4542 8.2832 120.4438 57.2701 42.1119 178.9940 189 K 4.0784 7.9428 118.6432 59.2942 32.3062 179.2372 190 R 3.9434 8.0586 118.3447 59.2909 29.9021 178.7742 191 L 3.9901 7.9758 119.7238 58.2963 41.8324 178.7085 192 E 3.9638 7.7839 117.9194 59.0999 29.6212 178.5955 193 S 4.2967 7.9246 113.5579 60.6785 63.4204 175.7382 194 K 4.2958 7.9073 119.9478 57.0199 32.1420 178.4383 195 I 3.6965 7.5503 120.2062 63.5775 37.8065 177.2911 196 N 4.3232 7.6537 115.4059 56.0407 36.8238 177.1049 197 A 4.0642 8.0329 121.9790 54.4649 18.4857 179.0226 198 L 4.2207 7.4796 117.8295 56.5906 42.1238 176.5079 199 N 4.3252 7.7373 117.8357 54.1096 38.9515 174.5412 200 R 4.1922 8.6744 125.1135 56.8895 31.0497 175.4906 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 Y 8.14 4.53 0.00 2.79 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 *6 R 8.20 4.28 0.00 1.92 2.19 0.00 3.19 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 7 F 7.86 4.49 0.00 3.21 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 8 T 6.54 4.09 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 1.14 0.00 0.00 9 E 7.59 3.99 0.00 1.74 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 2.46 2.38 0.00 10 N 8.16 4.67 0.00 2.95 2.96 0.00 0.00 6.78 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 11 F 7.96 4.13 0.00 3.46 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 12 E 8.42 3.80 0.00 2.11 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 2.43 2.35 0.00 13 R 7.88 3.78 0.00 1.87 2.14 0.00 3.20 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 14 A 8.04 3.67 1.10 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 15 K 7.45 2.68 0.00 0.79 1.31 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.26 1.27 7.81 16 K 7.20 3.72 0.00 1.78 1.85 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 17 E 7.62 3.99 0.00 1.97 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 2.27 2.32 0.00 18 A 7.91 4.15 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 19 L 7.88 3.90 0.00 1.79 1.65 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *21 S 8.01 4.29 0.00 3.92 4.07 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 22 L 7.89 4.01 0.00 1.90 1.86 0.92 0.64 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 23 E 8.46 3.91 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 24 I 7.71 3.65 2.00 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 1.55 1.17 0.89 0.00 0.00 25 A 7.85 4.00 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 26 L 8.17 3.92 0.00 1.85 1.72 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.16 4.01 0.00 1.96 2.10 0.00 3.23 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 28 K 7.54 4.50 0.00 1.71 1.78 0.00 1.89 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.64 7.81 29 G 7.82 4.09 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 0.00 0.00 0.00 30 E 8.23 4.64 0.00 1.90 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 2.30 2.15 0.00 31 V 7.57 4.24 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 0.82 0.00 0.00 0.96 0.00 0.00 32 D 8.81 4.30 0.00 2.70 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 33 E 9.11 3.96 0.00 2.07 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 2.41 2.41 0.00 34 D 8.22 4.45 0.00 2.67 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 35 I 7.64 4.43 1.85 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 1.39 0.71 0.90 0.00 0.00 36 I 7.79 3.66 1.87 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 1.51 1.05 0.91 0.00 0.00 37 P 0.00 4.21 0.00 2.16 2.10 0.00 3.63 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 2.12 2.15 0.00 38 L 8.02 3.90 0.00 1.89 1.84 0.86 0.56 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 39 L 8.10 3.96 0.00 1.85 1.70 0.91 0.83 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 40 K 8.14 4.03 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.58 7.81 41 K 8.20 4.00 0.00 1.87 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.65 7.81 42 I 7.78 3.87 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.14 0.86 0.00 0.00 43 N 8.39 4.63 0.00 2.90 2.93 0.00 0.00 6.79 7.52 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 44 S 7.90 4.40 0.00 4.08 4.20 0.00 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0.00 *62 E 8.82 5.35 0.00 2.39 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 2.25 2.19 0.00 *64 P 0.00 4.55 0.00 2.21 2.24 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 65 H 8.72 4.29 0.00 3.21 3.64 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.12 4.88 0.00 2.93 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 67 G 7.61 4.12 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 0.00 68 D 9.41 4.56 0.00 2.67 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 69 K 8.23 3.74 0.00 1.81 1.80 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.45 7.81 70 V 7.36 4.38 2.16 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 0.94 0.00 0.00 1.00 0.00 0.00 71 N 9.24 4.42 0.00 2.83 2.86 0.00 0.00 6.83 8.60 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 72 A 7.94 5.18 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 73 K 8.44 4.63 0.00 1.61 1.53 0.00 1.44 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.34 7.81 74 W 9.07 4.48 0.00 3.28 2.94 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 0.00 0.00 0.00 75 L 9.08 4.31 0.00 1.63 1.90 0.99 0.89 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 76 G 7.28 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 77 K 7.32 4.82 0.00 1.28 1.41 0.00 0.97 0.00 0.00 1.40 0.00 0.00 2.51 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.29 1.32 7.81 78 W 9.47 5.06 0.00 3.33 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 79 H 8.62 5.24 0.00 3.18 3.33 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 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8.02 3.84 0.00 1.62 1.79 0.56 0.51 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 0.00 122 V 7.86 3.53 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 1.04 0.00 0.00 0.98 0.00 0.00 123 N 8.15 4.37 0.00 2.80 2.86 0.00 0.00 6.72 6.90 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 0.00 124 L 7.85 3.94 0.00 1.66 1.86 0.92 0.80 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 0.00 125 A 8.17 4.10 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 0.00 126 V 8.44 4.12 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 1.35 0.00 0.00 1.08 0.00 0.00 127 S 8.13 4.25 0.00 4.08 4.09 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 0.00 128 C 7.64 4.46 0.00 3.41 3.24 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 0.00 129 G 8.29 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 0.00 130 F 7.99 4.44 0.00 3.29 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 0.00 131 K 7.98 4.12 0.00 1.33 1.70 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.24 7.81 132 Y 7.47 5.07 0.00 3.16 2.87 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 0.00 133 S 7.98 4.85 0.00 3.82 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 0.00 134 N 8.85 4.71 0.00 2.75 2.93 0.00 0.00 6.92 7.23 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 0.00 135 I 8.31 4.30 1.84 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 1.18 0.57 0.83 0.00 0.00 136 K 8.81 4.26 0.00 1.76 1.93 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.37 7.81 137 S 7.54 4.66 0.00 3.85 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 0.00 138 I 8.25 4.75 1.82 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 1.08 0.53 0.88 0.00 0.00 139 S 8.67 4.86 0.00 4.00 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 0.00 140 N 8.73 4.83 0.00 2.88 3.00 0.00 0.00 5.78 7.13 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 0.00 141 K 7.66 4.50 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.36 7.81 142 K 8.15 4.70 0.00 2.14 2.07 0.00 1.43 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.41 7.81 143 L 8.34 4.80 0.00 0.29 1.10 0.42 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.28 4.74 1.83 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 1.08 1.04 0.90 0.00 0.00 145 V 8.65 4.62 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 0.97 0.00 0.00 0.90 0.00 0.00 146 E 9.48 4.91 0.00 1.97 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 0.00 2.10 2.00 0.00 147 I 8.44 5.04 1.60 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.63 0.34 0.00 0.00 148 R 8.52 5.15 0.00 1.88 1.84 0.00 3.18 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 149 S 8.81 5.24 0.00 3.69 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 0.00 150 T 7.90 4.67 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 0.35 0.00 0.00 151 E 8.15 4.35 0.00 1.76 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 2.08 2.27 0.00 152 R 7.63 4.70 0.00 1.91 2.01 0.00 3.13 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 *154 D 8.18 4.55 0.00 2.87 2.83 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 0.00 155 V 9.11 4.37 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.15 0.00 0.00 156 L 8.49 3.81 0.00 0.80 1.28 0.17 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.66 4.67 0.00 1.54 1.66 1.00 0.69 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 0.00 158 G 7.39 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 0.00 0.00 0.00 159 E 7.81 5.07 0.00 2.13 1.82 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 2.23 2.39 0.00 160 N 9.99 4.10 0.00 2.74 2.75 0.00 0.00 7.11 7.69 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 0.00 161 G 8.01 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 0.00 0.00 0.00 162 E 8.00 4.00 0.00 1.84 1.64 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 1.62 2.06 0.00 163 I 7.95 4.08 1.81 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 1.36 0.93 0.95 0.00 0.00 164 F 8.46 4.60 0.00 3.08 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 0.00 165 V 7.59 4.33 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 0.42 0.00 0.00 1.03 0.00 0.00 166 G 8.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.52 3.94 0.00 2.08 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 2.39 2.41 0.00 168 E 8.15 3.92 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 169 Y 7.94 3.95 0.00 3.08 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 0.00 170 L 8.07 3.75 0.00 1.87 1.81 0.70 0.36 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 0.00 171 N 8.03 4.08 0.00 2.88 2.93 0.00 0.00 7.12 5.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 7.55 3.93 0.00 1.57 1.66 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.57 7.81 173 I 7.07 3.37 1.50 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 0.78 0.48 0.29 0.00 0.00 174 V 7.48 3.41 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 0.96 0.00 0.00 0.67 0.00 0.00 175 E 7.91 3.87 0.00 2.16 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 2.25 2.44 0.00 176 I 7.70 3.78 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.90 0.00 0.00 177 A 8.09 4.13 1.67 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 0.00 178 N 8.24 4.45 0.00 2.81 3.04 0.00 0.00 7.08 8.31 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 0.00 179 D 8.21 4.51 0.00 2.83 2.64 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 0.00 180 Q 7.54 3.94 0.00 2.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.38 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 *182 R 8.00 4.31 0.00 1.97 1.98 0.00 3.11 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 183 R 7.41 4.08 0.00 1.61 1.78 0.00 3.02 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 184 F 7.74 4.44 0.00 3.14 3.01 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 0.00 185 K 8.22 4.08 0.00 1.91 1.92 0.00 1.78 0.00 0.00 2.03 0.00 0.00 3.16 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.61 1.51 7.81 186 E 8.11 4.02 0.00 2.23 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 0.00 2.45 2.31 0.00 187 K 8.22 4.04 0.00 1.72 1.28 0.00 1.34 0.00 0.00 1.04 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.40 7.81 188 L 8.28 4.45 0.00 2.29 1.92 1.06 0.50 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 0.00 189 K 7.94 4.08 0.00 2.03 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.66 7.81 190 R 8.06 3.94 0.00 2.10 2.03 0.00 3.13 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 191 L 7.98 3.99 0.00 1.91 1.72 0.79 0.30 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 0.00 192 E 7.78 3.96 0.00 2.18 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 2.32 2.30 0.00 193 S 7.92 4.30 0.00 4.11 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 0.00 194 K 7.91 4.30 0.00 1.86 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.63 7.81 195 I 7.55 3.70 2.01 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.96 0.00 0.00 196 N 7.65 4.32 0.00 3.12 3.08 0.00 0.00 6.73 7.50 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 0.00 197 A 8.03 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 L 7.48 4.22 0.00 1.63 1.90 0.96 1.12 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 0.00 199 N 7.74 4.33 0.00 2.90 2.77 0.00 0.00 7.14 7.81 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 0.00 200 R 8.67 4.19 0.00 2.00 1.91 0.00 3.33 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.