NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.5493 8.3193 116.7949 58.7317 63.1120 173.1086 -1 N 4.8108 8.2517 126.4224 51.4554 37.6122 173.1959 0 A 4.0248 8.2179 121.4423 53.1858 20.2377 178.8455 0 G 3.6648 8.3079 106.4423 45.7858 0.0000 175.9455 3 K 4.3849 8.8151 124.8042 54.4783 34.4831 175.3166 4 V 4.8339 8.6991 125.7196 60.8673 34.4681 173.7679 5 L 5.2789 9.2835 130.4650 53.5058 44.5009 174.9483 6 V 4.9266 9.2397 126.9856 61.5274 33.4292 173.8160 7 I 5.1749 9.0183 129.7030 59.4010 40.4365 173.8708 8 Y 5.2826 8.2637 125.9169 55.5634 41.7746 173.3045 9 D 4.9052 8.4176 119.7633 53.1488 44.0923 174.8745 10 T 4.5235 8.0169 114.5689 61.5640 69.6696 172.7433 11 R 4.4610 8.8304 125.7578 56.8308 32.1266 176.4468 12 T 4.4656 8.1643 103.9421 60.9106 69.7788 174.3051 13 G 4.0685 8.6510 112.1234 45.8641 0.0000 175.8258 14 N 4.2894 8.1974 116.3126 56.8779 38.6039 176.5981 15 T 4.1401 7.8409 112.6298 66.2450 69.1725 175.9361 16 K 3.2089 8.1749 122.3912 59.2538 32.3348 179.7921 17 K 4.1845 7.9846 115.6639 57.0135 31.6965 178.6021 *19 A 3.9464 8.1302 123.9839 52.2500 20.4975 179.8306 20 E 3.8749 8.1374 115.3944 59.5280 29.3538 179.6664 21 L 3.8941 7.5586 118.9665 57.5406 41.6727 179.4313 22 V 3.9381 7.7623 118.8650 65.3958 31.2269 177.8392 23 A 3.9953 8.1299 120.4468 54.9133 17.9794 179.0012 24 E 3.9206 8.2677 117.4251 59.5268 29.8683 178.9159 25 G 3.7703 8.3258 105.6509 47.8769 0.0000 175.4174 26 A 4.1218 8.0334 123.2145 54.9899 18.2441 179.9304 27 R 4.0080 8.0774 115.3711 58.6991 30.1452 179.0185 28 S 4.2659 7.5158 113.8736 59.5670 63.1512 174.1489 29 L 4.2374 7.2177 125.2707 53.5271 42.5012 175.5941 30 E 3.8943 8.8794 125.4350 58.2039 29.9440 177.1111 31 G 3.8970 8.6850 110.6684 47.4042 0.0000 173.6151 32 T 4.6784 7.5492 114.0260 61.3973 71.0073 174.2588 33 E 4.6794 8.8027 127.7428 54.8507 31.7956 174.6659 34 V 5.2020 8.4377 125.5510 61.4219 34.6626 174.3630 35 R 4.5998 9.2514 126.9747 54.5044 32.3445 174.9046 36 L 5.3070 8.4724 124.9636 53.2744 44.6153 175.7164 37 K 4.7370 9.1877 125.3986 54.9192 36.8286 175.7403 38 H 3.1468 8.8354 124.8153 55.7111 30.4211 176.3464 39 V 3.0413 7.6738 118.0297 64.4494 31.4475 178.6465 40 D 4.3285 8.1547 118.1553 56.1477 40.6968 176.5399 41 E 4.4487 7.6232 113.7958 55.5017 30.5931 176.1227 42 A 4.3138 7.0834 122.9306 52.0816 18.8857 176.3759 43 T 4.9102 8.4826 109.6858 58.8492 72.1835 175.2613 44 K 3.7731 8.4938 120.3088 59.8378 32.5097 178.9151 45 E 4.0330 8.2437 119.6254 59.3960 29.2888 178.7153 46 D 4.4306 8.0078 118.7810 57.4594 40.6705 179.0717 47 V 3.7241 7.2797 117.3499 65.9633 31.6222 177.7703 48 L 4.1734 7.9925 117.9503 57.5485 41.5188 178.9701 49 W 4.2364 8.5368 127.6651 59.2509 31.0452 176.4723 50 A 3.7348 7.4444 121.1256 51.9862 18.8479 176.8363 51 D 4.4519 8.6706 122.8646 55.9982 42.4785 176.9988 52 G 4.5113 7.8380 103.9077 44.2461 0.0000 171.7554 53 L 5.6603 9.2395 121.9981 52.5759 46.0522 175.3152 54 A 5.3161 9.3389 124.3497 50.2215 21.9883 175.0943 55 V 4.7736 9.0029 123.1105 61.1016 34.1890 174.7063 56 G 3.4584 8.7740 114.8757 44.5579 0.0000 171.2883 57 S 4.9984 7.8472 115.1579 55.5095 66.1012 171.4887 58 P 4.6992 0.0000 0.0000 63.2282 32.2225 175.9876 59 T 3.9828 8.9190 119.6696 63.4957 69.4351 174.7115 60 N 4.9176 8.9984 126.3427 53.1292 39.3085 176.4391 *62 G 3.9868 8.0988 105.5163 44.9403 0.0000 172.7940 63 L 4.6918 7.5132 118.7231 52.1537 46.0213 175.6369 64 V 3.6586 7.9558 119.4590 63.2052 31.7700 175.5572 65 S 4.1532 8.7478 120.2586 57.9020 62.9743 174.7602 66 W 4.4431 8.8062 123.5596 59.6178 28.3654 178.7106 67 K 3.7397 6.9158 115.3190 56.6583 30.9810 178.4023 *69 K 4.2674 8.2022 121.8070 56.5878 33.8806 177.5919 70 R 4.0384 8.5617 118.8184 59.6332 29.8730 178.1635 71 F 4.2108 8.3241 119.8090 61.3238 38.9111 177.1997 72 F 3.7739 8.5475 116.9084 60.5583 38.6405 177.3194 73 D 4.4581 8.3937 117.3260 57.3198 40.7800 177.7846 74 D 4.7046 8.2651 117.4321 54.9317 41.8146 177.8031 75 V 4.0431 7.3715 116.9994 62.8810 32.9816 177.4142 76 L 4.1276 7.4165 119.5902 55.8245 41.5037 178.9682 77 G 3.9043 7.7384 105.3655 48.0953 0.0000 175.0811 78 D 4.6415 8.1464 118.7309 56.0397 41.2330 177.3888 79 L 4.5508 8.1601 119.0531 53.4293 42.1450 176.1353 80 W 4.2426 7.6679 129.8925 59.2153 30.7925 176.0123 81 G 3.3876 8.6963 114.1032 45.0133 0.0000 173.2632 82 E 4.6620 8.0015 114.7513 55.6567 31.1972 175.7026 83 I 4.6032 7.5956 111.7710 60.7403 37.9319 174.7102 84 D 4.5513 8.0933 120.7942 57.0563 40.9546 177.4627 85 G 4.0841 8.8162 111.2182 44.7784 0.0000 174.0152 86 K 4.0392 7.5660 118.6679 56.3593 33.5121 175.8073 87 I 5.0735 8.1076 122.8488 59.7650 39.6491 174.7921 88 A 5.9400 9.8415 127.7572 51.1385 23.3932 174.3994 89 C 4.8788 8.5194 112.9608 57.1283 33.8018 172.1439 90 A 5.4497 8.3503 118.9451 50.4946 22.5429 174.9289 91 F 5.3906 8.6531 113.2949 56.1594 42.0508 173.1886 92 S 5.3663 9.2651 113.5842 57.9880 66.3723 172.7111 93 S 5.2997 8.7112 120.3793 56.5014 64.9242 172.8289 94 S 4.9664 8.9190 121.0673 56.0988 66.0083 175.2424 95 G 3.5714 8.7560 108.3289 47.7247 0.0000 174.0939 96 G 4.0749 7.3426 106.5648 43.8270 0.0000 172.7671 97 W 4.2929 8.5395 122.5996 58.1067 29.5232 176.5397 98 G 3.9759 9.2944 109.9211 46.3337 0.0000 174.1435 99 G 3.8306 7.7339 106.6679 44.8242 0.0000 174.9706 100 G 4.2010 8.2576 109.3627 45.4903 0.0000 175.6369 101 N 4.7785 8.2073 121.7477 55.1793 37.1333 176.9457 102 E 4.0762 8.1081 119.8306 59.1025 29.7437 178.8693 103 V 3.6645 7.7169 116.8746 65.7969 31.9633 177.3640 104 A 4.3519 8.2583 122.2836 54.6868 18.1339 180.1736 105 C 3.8385 7.9587 112.8648 60.5712 28.0371 176.0057 *107 S 4.3587 8.0704 117.7216 58.4810 64.6224 175.9723 108 I 3.5874 7.7152 120.8882 64.1329 36.9801 177.4635 109 L 4.1507 7.9740 119.1201 58.2157 41.4697 179.1505 110 T 3.8694 7.2037 110.4340 65.1375 68.0803 174.4107 *112 L 4.1105 7.7535 120.6784 54.7351 43.0791 178.2020 *114 N 4.7094 8.2206 118.8813 53.7388 40.4031 174.9120 115 F 3.9430 7.8129 113.9463 57.7916 39.1950 176.2685 116 G 4.0388 8.0784 108.9805 46.3181 0.0000 173.3699 117 F 5.1104 7.8134 117.3516 57.4881 40.0728 174.6672 118 L 4.7016 9.4556 122.8004 53.9501 42.9348 176.2482 119 V 5.7407 8.7688 122.7235 59.1249 34.2316 174.5684 120 F 5.0864 8.6140 116.5406 56.0540 41.2760 172.9925 121 G 4.8031 8.6699 107.3112 42.7390 0.0000 171.7810 122 V 4.5934 8.3253 118.3384 61.0771 33.6797 177.0719 123 T 4.1612 9.0008 117.4176 64.5820 69.2784 174.8204 124 D 3.7375 7.6909 119.7370 54.0853 41.4092 175.6024 125 Y 4.6020 8.3476 122.2003 56.7092 39.0640 176.6063 126 V 4.2223 8.6784 123.8488 61.6352 33.1164 175.1844 127 G 4.3413 7.6678 106.8027 42.9829 0.0000 172.3384 128 K 4.1950 8.9923 117.8743 59.1376 32.1907 179.0411 129 K 4.8755 7.8951 115.0931 55.4185 32.8641 176.6493 130 F 4.2477 7.8571 120.3219 56.8088 42.2683 172.8314 131 T 4.4498 7.0220 121.7378 61.6848 70.3085 172.8253 132 L 4.6756 7.4779 116.3646 55.4840 40.4605 176.4418 133 H 4.4406 7.9146 117.4954 58.7851 29.2295 177.1469 134 Y 4.5225 8.6409 113.4407 57.0394 38.5991 174.5361 135 G 4.5356 7.7936 105.5341 43.5865 0.0000 172.4027 136 A 4.4290 8.4240 122.1489 51.5862 19.6564 177.0918 137 V 5.2799 8.3680 114.5855 58.6270 35.6149 175.3443 138 V 4.4598 8.0083 121.9778 61.3006 35.4439 173.5093 139 A 4.1798 7.2658 128.9577 52.4857 18.5063 177.6103 140 G 3.7421 8.7092 112.8692 45.6174 0.0000 171.6597 141 E 4.0961 8.4583 122.7586 54.6748 30.4496 175.2659 142 P 4.3943 0.0000 0.0000 63.2689 31.5490 175.6221 143 R 4.3976 8.7875 121.4443 56.9265 32.9060 177.2030 144 S 4.3889 8.1003 112.3184 57.5084 65.1965 174.7624 145 E 3.8643 8.5276 123.0909 59.4559 28.9529 178.8733 146 E 3.8150 7.8442 117.1471 59.2829 29.5609 178.8342 147 E 3.8037 7.4016 119.0991 59.0779 29.5343 179.4828 148 K 3.9379 8.0356 118.5244 59.4055 32.0043 179.0405 149 E 3.9781 8.4438 119.4008 58.6357 29.5059 178.6177 150 A 4.0264 8.3768 121.5681 55.2954 18.6245 179.1803 151 C 3.8927 7.7837 115.2611 63.1943 28.2269 176.6631 152 R 4.0291 7.8562 119.4037 59.3452 29.5446 179.1915 153 R 3.8263 8.2434 118.6831 59.0089 30.1413 178.1562 154 L 4.0719 8.0009 120.4977 58.3543 42.0886 179.4100 155 G 3.6202 7.9588 104.9900 47.4345 0.0000 175.5485 156 R 3.8562 7.9806 121.0364 59.4543 30.2137 178.6170 157 R 3.6999 8.0736 120.1131 58.3890 29.9623 178.0948 158 L 4.0185 7.8898 119.4709 58.3431 42.1353 178.8019 159 A 4.0785 7.9185 120.5321 55.2635 18.1068 179.5238 160 E 3.7860 8.0425 117.0207 59.3000 29.5175 179.6218 161 W 4.6847 8.3796 119.3690 59.8497 29.1004 178.6470 162 V 3.6867 8.5948 118.3960 65.9522 31.0491 178.0351 163 A 3.9321 8.1454 120.4622 55.2998 18.0802 179.7833 164 I 3.7092 7.7760 117.2629 64.2992 37.2282 178.1375 165 F 4.7182 8.3510 116.9816 58.4232 39.2265 176.9373 166 V 4.1090 7.7348 116.7756 64.4530 32.6686 176.3385 167 D 4.7155 7.7266 116.9963 53.7489 40.6825 179.1505 168 G 4.0497 8.2705 107.7940 46.2919 0.0000 175.9209 169 R 4.4563 7.6412 117.0292 55.6773 26.6943 177.3136 170 K 4.0811 7.8681 123.7299 59.3794 33.4820 178.6898 171 E 3.9277 8.1616 119.1918 59.4645 29.2048 178.6245 172 L 4.0237 7.6517 120.5926 57.3232 42.0538 178.3624 173 L 4.0104 7.5416 120.7341 58.4287 42.0503 178.7021 174 E 4.0424 8.1082 118.4986 59.0388 29.4472 178.6632 175 K 3.9730 7.4392 117.0289 59.4756 32.4411 179.1240 176 I 3.8116 8.0918 120.1875 64.6324 36.8992 178.4396 177 R 4.0685 8.2567 117.7842 58.9425 30.0282 178.1338 178 K 4.6531 7.7585 114.4607 55.0142 32.7727 176.2486 179 D 4.4936 7.8788 120.9924 53.5453 42.0378 175.0814 180 P 4.4176 0.0000 0.0000 65.2128 31.2646 178.3310 181 A 4.0794 8.0983 119.1915 54.9924 18.5015 179.3804 182 R 4.0357 7.8404 116.1619 57.1721 30.0000 176.0822 183 F 4.9308 7.6811 116.2502 55.3553 40.4748 175.0905 184 V 3.8621 8.6421 124.5617 62.9698 31.2567 175.8568 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 -2 S 8.32 4.55 0.00 3.87 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 -1 N 8.25 4.81 0.00 2.84 2.82 0.00 0.00 6.24 6.38 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 A 8.22 4.02 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 0 G 8.31 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 0.00 0.00 0.00 3 K 8.82 4.38 0.00 1.06 0.74 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.55 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.79 0.94 7.81 4 V 8.70 4.83 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 1.05 0.00 0.00 0.96 0.00 0.00 5 L 9.28 5.28 0.00 2.08 1.70 1.05 0.77 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 6 V 9.24 4.93 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 1.20 0.00 0.00 1.04 0.00 0.00 7 I 9.02 5.17 1.91 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 1.22 1.23 1.07 0.00 0.00 8 Y 8.26 5.28 0.00 3.12 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 9 D 8.42 4.91 0.00 2.47 2.42 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 10 T 8.02 4.52 4.41 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 1.41 0.00 0.00 11 R 8.83 4.46 0.00 1.74 1.87 0.00 3.40 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 12 T 8.16 4.47 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 13 G 8.65 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 0.00 0.00 0.00 14 N 8.20 4.29 0.00 2.71 3.07 0.00 0.00 6.97 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 15 T 7.84 4.14 4.45 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 1.35 0.00 0.00 16 K 8.17 3.21 0.00 1.73 1.92 0.00 1.86 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.04 7.81 17 K 7.98 4.18 0.00 2.06 1.76 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.39 7.81 *19 A 8.13 3.95 1.20 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 0.00 0.00 20 E 8.14 3.87 0.00 2.09 1.93 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 2.25 2.33 0.00 21 L 7.56 3.89 0.00 1.50 1.61 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.76 3.94 1.76 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 1.29 0.00 0.00 0.09 0.00 0.00 23 A 8.13 4.00 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 24 E 8.27 3.92 0.00 2.06 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 0.00 2.30 2.31 0.00 25 G 8.33 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.12 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 27 R 8.08 4.01 0.00 2.01 2.01 0.00 3.18 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 28 S 7.52 4.27 0.00 3.94 3.97 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 29 L 7.22 4.24 0.00 1.66 1.55 0.89 0.77 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 30 E 8.88 3.89 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 2.31 2.27 0.00 31 G 8.69 3.90 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 0.00 0.00 0.00 32 T 7.55 4.68 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 1.28 0.00 0.00 33 E 8.80 4.68 0.00 2.17 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 2.89 2.50 0.00 34 V 8.44 5.20 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 0.96 0.00 0.00 1.01 0.00 0.00 35 R 9.25 4.60 0.00 1.76 1.68 0.00 2.24 0.00 0.00 2.66 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.00 36 L 8.47 5.31 0.00 1.66 1.57 1.09 0.56 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 37 K 9.19 4.74 0.00 1.60 1.51 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.46 7.81 38 H 8.84 3.15 0.00 2.95 2.92 0.00 5.60 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 39 V 7.67 3.04 1.76 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 0.30 0.00 0.00 0.68 0.00 0.00 40 D 8.15 4.33 0.00 2.47 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 41 E 7.62 4.45 0.00 2.00 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 2.27 2.12 0.00 42 A 7.08 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.48 4.91 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 1.21 0.00 0.00 44 K 8.49 3.77 0.00 1.99 2.03 0.00 1.52 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.54 7.81 45 E 8.24 4.03 0.00 2.09 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 0.00 2.42 2.50 0.00 46 D 8.01 4.43 0.00 2.91 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 47 V 7.28 3.72 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 0.87 0.00 0.00 0.95 0.00 0.00 48 L 7.99 4.17 0.00 1.92 1.79 0.96 0.84 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 49 W 8.54 4.24 0.00 3.30 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.44 3.73 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.67 4.45 0.00 2.58 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 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2.79 0.00 0.00 6.43 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 *62 G 8.10 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 63 L 7.51 4.69 0.00 1.64 1.50 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.96 3.66 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 0.60 0.00 0.00 0.88 0.00 0.00 65 S 8.75 4.15 0.00 3.71 3.68 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 0.00 0.00 0.00 0.00 66 W 8.81 4.44 0.00 3.54 3.32 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 67 K 6.92 3.74 0.00 1.15 1.50 0.00 0.82 0.00 0.00 1.36 0.00 0.00 2.37 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 0.21 7.81 *69 K 8.20 4.27 0.00 2.03 2.15 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.75 7.81 70 R 8.56 4.04 0.00 2.34 2.33 0.00 3.63 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 71 F 8.32 4.21 0.00 3.19 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.55 3.77 0.00 3.36 3.32 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 73 D 8.39 4.46 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 4.70 0.00 2.85 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 75 V 7.37 4.04 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.65 0.00 0.00 76 L 7.42 4.13 0.00 1.50 1.27 -0.28 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.74 3.90 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 0.00 0.00 0.00 78 D 8.15 4.64 0.00 2.69 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 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0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 1.19 0.00 0.00 88 A 9.84 5.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 C 8.52 4.88 0.00 2.48 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 90 A 8.35 5.45 1.21 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 0.00 0.00 91 F 8.65 5.39 0.00 3.19 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 92 S 9.27 5.37 0.00 3.82 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 93 S 8.71 5.30 0.00 3.92 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 94 S 8.92 4.97 0.00 3.72 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 95 G 8.76 3.57 0.00 0.00 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 0.00 0.00 0.00 1.33 0.00 0.00 124 D 7.69 3.74 0.00 2.56 2.52 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 0.00 125 Y 8.35 4.60 0.00 3.27 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 0.00 126 V 8.68 4.22 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 0.90 0.00 0.00 0.97 0.00 0.00 127 G 7.67 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 0.00 128 K 8.99 4.19 0.00 1.81 1.97 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.46 7.81 129 K 7.90 4.88 0.00 1.72 1.78 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 130 F 7.86 4.25 0.00 3.01 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 0.00 131 T 7.02 4.45 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 0.50 0.00 0.00 132 L 7.48 4.68 0.00 1.83 1.76 0.87 0.93 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 0.00 133 H 7.91 4.44 0.00 2.75 2.61 0.00 5.85 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 0.00 134 Y 8.64 4.52 0.00 3.04 3.04 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 0.00 135 G 7.79 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.42 4.43 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 0.00 137 V 8.37 5.28 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 1.16 0.00 0.00 1.06 0.00 0.00 138 V 8.01 4.46 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 0.93 0.00 0.00 1.10 0.00 0.00 139 A 7.27 4.18 0.40 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 0.00 140 G 8.71 3.74 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 0.00 0.00 0.00 141 E 8.46 4.10 0.00 1.93 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 0.00 2.27 2.27 0.00 142 P 0.00 4.39 0.00 2.19 2.08 0.00 3.74 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 1.95 1.96 0.00 143 R 8.79 4.40 0.00 1.78 1.95 0.00 3.20 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 144 S 8.10 4.39 0.00 3.97 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 0.00 145 E 8.53 3.86 0.00 1.99 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 2.33 2.33 0.00 146 E 7.84 3.82 0.00 1.78 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 2.05 1.64 0.00 147 E 7.40 3.80 0.00 2.10 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 2.42 1.84 0.00 148 K 8.04 3.94 0.00 1.88 1.81 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.49 7.81 149 E 8.44 3.98 0.00 2.13 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 2.34 0.00 150 A 8.38 4.03 1.65 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 0.00 151 C 7.78 3.89 0.00 3.03 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 0.00 152 R 7.86 4.03 0.00 1.97 1.93 0.00 3.27 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 153 R 8.24 3.83 0.00 2.00 2.04 0.00 3.32 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 154 L 8.00 4.07 0.00 1.90 1.76 0.91 1.18 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 0.00 155 G 7.96 3.62 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 0.00 0.00 0.00 156 R 7.98 3.86 0.00 2.03 1.87 0.00 3.23 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 157 R 8.07 3.70 0.00 1.83 1.87 0.00 2.21 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.00 158 L 7.89 4.02 0.00 2.20 1.89 1.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.92 4.08 1.39 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 0.00 0.00 0.00 160 E 8.04 3.79 0.00 1.65 1.62 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 2.16 2.27 0.00 161 W 8.38 4.68 0.00 3.26 3.13 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 0.00 162 V 8.59 3.69 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 1.00 0.00 0.00 1.00 0.00 0.00 163 A 8.15 3.93 1.34 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 0.00 164 I 7.78 3.71 1.28 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.32 0.00 0.00 165 F 8.35 4.72 0.00 3.07 2.99 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 0.00 166 V 7.73 4.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 167 D 7.73 4.72 0.00 2.97 2.61 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 0.00 168 G 8.27 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 0.00 169 R 7.64 4.46 0.00 2.08 2.09 0.00 3.02 0.00 0.00 3.29 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 170 K 7.87 4.08 0.00 1.97 2.04 0.00 1.50 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.47 7.81 171 E 8.16 3.93 0.00 2.17 2.25 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 2.34 2.30 0.00 172 L 7.65 4.02 0.00 1.87 1.65 0.88 0.38 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 0.00 173 L 7.54 4.01 0.00 1.89 1.67 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.11 4.04 0.00 2.13 1.93 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 2.39 2.47 0.00 175 K 7.44 3.97 0.00 1.89 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.48 7.81 176 I 8.09 3.81 2.04 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.82 0.00 0.00 177 R 8.26 4.07 0.00 1.97 2.10 0.00 3.27 0.00 0.00 3.54 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 178 K 7.76 4.65 0.00 1.75 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.58 7.81 179 D 7.88 4.49 0.00 2.98 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 0.00 180 P 0.00 4.42 0.00 2.24 2.13 0.00 3.68 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 2.13 2.18 0.00 181 A 8.10 4.08 1.39 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 0.00 0.00 0.00 182 R 7.84 4.04 0.00 1.63 1.35 0.00 3.05 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 183 F 7.68 4.93 0.00 3.07 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 0.00 184 V 8.64 3.86 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 0.76 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.