NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1540 8.0249 121.4548 60.2553 38.1486 175.3383 3 P 4.3238 0.0000 0.0000 61.2523 32.2448 176.4993 4 F 4.3259 9.8464 123.3714 61.3954 39.9091 175.3775 5 P 4.1192 0.0000 0.0000 64.3967 31.4539 177.2374 6 E 4.3622 8.0334 116.8272 56.5035 29.5451 178.1851 7 S 4.1015 7.7677 117.8093 61.4892 62.8569 176.4785 8 R 3.8201 7.7338 120.8278 59.4105 29.7482 178.1832 9 L 4.4264 8.0255 119.3138 57.6285 42.2381 178.1883 10 A 4.1150 7.9601 119.6372 54.9940 18.6825 179.2074 11 A 4.1665 8.1794 119.3068 55.2934 18.4148 180.6776 12 Q 3.9438 8.0155 113.9778 56.8384 28.8126 178.7723 *14 S 4.4075 8.0544 117.3034 58.4005 65.3028 175.7837 15 F 4.0574 8.2891 122.3930 60.9518 38.8603 177.0798 16 V 3.5174 7.7035 116.7111 66.2013 31.4219 177.9152 17 V 3.6566 7.6363 117.1594 65.9544 31.5267 177.3241 18 E 3.8374 8.1245 119.3368 59.0876 29.4708 178.2149 19 I 3.7149 7.3940 111.3031 61.8022 37.7802 176.9403 20 D 4.2878 7.6701 121.2218 57.9432 40.8852 178.4604 21 K 4.0343 8.0547 118.1248 58.6234 32.0260 178.8143 22 L 3.9580 7.8437 121.0477 57.7611 41.6959 178.8138 23 K 4.2642 7.8882 117.7831 58.5396 32.0060 178.1072 24 T 4.4565 7.5878 108.1952 60.7629 69.4848 174.2298 25 I 4.2470 7.2992 124.4184 60.4133 38.4847 174.5907 26 L 4.9991 8.4680 127.2826 53.4196 43.4129 176.7720 27 R 4.8087 8.5537 122.5092 54.4489 31.7942 176.4495 28 Q 4.1333 8.6085 117.5582 57.6378 29.4179 177.0070 29 T 3.9724 7.8411 115.6420 63.9562 69.3541 173.3909 30 L 4.9462 7.7597 126.3419 53.2280 43.3867 176.7226 31 L 4.3387 8.5830 122.2318 55.2533 42.3948 178.8292 32 T 3.8207 8.6442 111.0529 64.3871 68.7874 174.6768 33 D 4.5777 8.0639 119.6187 52.6108 39.6365 176.3403 34 S 3.7844 8.3390 114.1588 59.7097 61.0112 173.4835 35 S 4.2211 8.4677 117.6082 61.0121 63.1489 173.8803 36 R 4.4239 7.1800 115.1879 55.2016 31.8184 174.1987 37 R 4.4887 8.6118 118.7735 56.0999 30.4897 176.5201 38 E 4.4884 9.2368 124.4689 56.2357 31.0833 176.1038 39 N 4.9450 9.5085 124.0257 51.5661 39.5729 175.9396 40 D 4.3900 8.9377 119.1855 57.3004 40.6331 179.1581 41 A 4.0322 8.0461 121.1458 55.2117 18.5775 179.4249 42 E 4.0784 8.9911 116.4629 59.4533 29.6703 178.8423 43 H 4.4229 8.3798 120.8989 58.9597 29.9686 177.4470 44 S 4.1779 8.3702 117.0112 61.1206 62.6552 176.1608 45 W 4.2929 8.5392 131.4447 61.0264 30.1543 177.5296 46 H 3.2608 8.1459 116.3056 59.1442 29.4008 177.0202 47 I 3.6907 7.5531 120.2567 64.0758 36.7009 177.9329 48 A 4.0848 8.0576 121.8034 55.1159 18.2124 180.4102 49 T 3.8261 7.5523 113.6016 63.5644 68.1087 176.6436 *51 A 4.2612 7.9938 124.8203 52.4078 20.2509 180.0891 52 F 4.4125 7.6895 113.3049 60.7386 39.1856 178.0872 53 L 4.1024 8.1685 119.4427 57.1811 41.7016 178.0372 54 L 4.8427 7.5783 116.7297 54.3846 42.2013 177.9566 55 A 4.0459 7.8397 125.0217 55.2830 18.3021 180.5439 56 E 3.8604 7.8368 112.1331 58.8009 29.6950 177.1996 57 Y 4.3949 7.5166 115.5229 58.3034 38.4191 175.4854 58 A 3.7906 7.3133 123.3438 50.7479 19.5636 177.3346 59 D 4.4349 8.2512 122.5051 54.6678 41.6121 178.2022 60 E 3.8351 8.8205 117.7323 59.2007 29.6220 179.1269 61 A 4.1810 7.7414 119.2446 53.5273 18.8586 177.7164 62 V 3.7998 7.5557 116.6544 62.6098 32.1366 176.1632 63 Q 4.4027 9.0869 126.8957 54.4996 29.3658 176.7720 64 I 3.7218 8.2199 127.7268 64.1912 37.2166 178.6455 65 G 3.6769 8.0823 106.2028 47.7183 0.0000 175.6365 66 R 3.9011 7.8345 119.7968 59.0736 30.2901 178.0774 67 V 3.7350 7.8092 117.1903 65.9709 31.6883 177.5159 68 A 4.0575 7.9649 120.4147 55.0547 18.2937 180.6789 69 R 4.1661 7.9331 114.3468 57.2563 29.6691 178.1143 *71 L 4.1457 7.8990 118.9619 54.2324 43.5942 179.2139 72 L 4.0851 8.2918 117.9400 57.0651 41.7954 177.9509 73 I 4.4795 7.7512 109.9485 60.8943 38.5136 177.1713 74 H 4.3653 7.8459 116.6795 58.1535 28.3711 175.8717 75 D 4.7564 7.6176 117.7409 53.9097 41.5601 177.7001 76 I 3.5158 7.7726 122.9643 64.6656 36.9427 178.4984 77 V 3.3287 7.3722 112.3407 64.1577 31.2274 178.0447 78 E 3.9968 8.2926 118.2587 58.4347 28.9335 178.8742 79 I 3.6880 7.2508 119.9974 64.4901 37.2579 177.0124 80 D 4.5552 7.7931 116.4030 55.9333 41.6541 178.0603 81 A 4.2638 8.0777 119.6387 51.4597 19.0755 178.3207 82 G 3.8618 7.8049 105.9984 44.7979 0.0000 172.3335 83 D 4.9258 8.0394 116.6208 52.4469 42.3429 174.9995 84 T 4.7428 8.1674 121.1460 61.2750 71.0959 173.8850 85 F 4.4782 8.8090 129.1052 57.9125 40.1176 175.6034 86 I 3.4335 7.7913 127.6952 64.1685 37.7731 176.0211 87 H 4.4683 6.4744 113.9601 55.8301 28.8114 175.1949 88 D 4.7106 7.9316 123.5806 53.4011 39.6434 176.7283 89 E 4.0679 8.9412 119.8663 58.6882 29.8404 176.1176 90 A 3.9657 8.0247 123.5826 53.3211 18.8596 177.7608 *94 D 4.6107 8.5441 119.8190 52.7050 42.0691 175.8037 95 K 4.0843 8.4305 125.4052 61.2119 32.1080 178.7654 96 E 4.0847 8.2934 118.0766 61.3876 29.6048 180.4725 97 E 4.1756 8.1730 120.0051 58.9897 29.7740 178.7049 98 R 3.9573 8.3266 118.4958 59.5955 30.1462 178.9694 99 E 3.9472 8.5705 118.3880 59.1707 29.4857 179.2795 100 R 4.2306 8.5956 121.4900 60.2288 30.3272 179.3986 101 K 4.0367 8.2684 123.1826 59.5817 31.6222 180.6611 102 A 4.2166 8.2085 121.8156 54.9827 18.3073 179.4132 103 A 3.7137 8.1422 119.4154 55.3719 18.2657 179.6130 104 A 4.0297 8.0139 119.1134 55.3723 17.4948 179.9435 105 R 3.8741 7.8888 116.7408 59.5039 30.2431 178.6420 106 L 3.8003 8.1287 119.1300 57.9338 41.7992 179.5417 107 F 4.4607 7.8547 117.6189 60.2992 38.6070 177.7769 108 G 3.9000 7.4480 106.0078 46.4340 0.0000 175.3631 109 L 4.2176 7.7017 120.7732 56.7075 41.8207 177.6902 110 L 4.1936 7.0956 117.7271 53.2789 42.4847 175.5689 111 P 4.4008 0.0000 0.0000 62.2620 33.1844 175.7168 112 P 4.3183 0.0000 0.0000 65.9526 31.2402 178.6898 113 D 4.3499 8.0508 117.2129 56.8288 39.3795 178.5858 114 Q 4.1433 8.0876 118.9334 57.9547 28.8385 178.0051 115 A 4.1162 8.5135 122.3192 55.2995 18.4557 179.6051 116 A 3.9320 8.0318 119.1559 55.0943 18.4789 179.4082 117 E 3.7392 8.2623 117.8367 59.8241 29.7707 178.7994 118 Y 3.6566 8.4333 116.9979 60.6744 37.8161 178.1819 119 S 3.7875 7.6368 115.9508 61.6099 62.9100 176.7278 120 A 3.9486 7.9454 123.2295 54.9768 18.0805 179.4716 121 L 3.8371 7.7892 118.9354 57.8926 42.1001 178.9743 122 W 4.3340 8.2776 128.3667 60.7105 30.7021 177.9343 123 Q 3.2460 8.2220 118.0753 58.6141 28.1123 178.5071 124 E 3.8310 8.3921 120.6558 59.2479 29.4669 178.0704 125 Y 4.0434 7.8261 118.3572 61.0165 38.9715 177.8463 126 E 3.8611 7.9810 117.6963 59.2220 29.5433 178.9769 127 A 3.9617 7.8785 120.1212 52.4014 18.8487 177.3052 128 R 3.5904 7.3029 112.2970 57.4325 29.0917 177.1282 129 E 4.3027 8.1415 117.0790 59.5891 31.0998 177.9729 130 T 4.2075 7.4815 108.2475 60.7021 71.2013 175.1563 131 A 3.9678 8.4126 122.9751 55.5688 18.3236 179.6245 132 D 4.3379 8.1104 116.5250 57.6266 40.8960 178.8579 133 A 4.0541 7.9755 120.9623 55.1739 18.3291 179.9389 134 R 3.8426 8.2650 116.8589 59.2899 30.1140 179.1093 135 F 4.2373 8.3372 120.2596 61.0485 39.4446 176.9743 136 A 3.8964 8.3132 120.6741 55.4240 18.2311 179.1758 137 D 4.2586 8.4737 116.5738 57.2899 41.2507 178.2259 138 A 3.9426 8.0572 121.3922 55.1352 18.4480 179.6679 139 L 3.7540 7.5728 117.4940 57.8679 41.4264 179.2347 140 D 4.3537 7.9390 116.9947 57.2642 41.0199 178.0736 141 R 4.1825 8.1981 118.4459 58.3352 30.1677 178.6680 142 L 4.0180 7.9057 120.6258 58.0303 42.1319 178.5216 143 Q 3.9366 7.9446 119.3784 58.9718 28.8633 176.8083 144 P 4.3011 0.0000 0.0000 65.2284 31.3500 178.6136 145 L 4.0901 7.4827 115.0289 57.7578 41.5712 179.2524 146 L 4.1074 7.9710 118.9094 58.4703 41.6003 179.5092 147 H 4.1831 8.3563 115.8819 58.8769 28.6592 177.6768 148 N 3.8916 8.2088 118.6519 55.8049 38.0826 177.3150 149 F 4.2250 8.2681 122.2217 61.4533 39.3564 177.1288 150 E 4.1116 8.1819 117.2969 58.9645 29.2522 178.3924 151 T 4.2020 7.5591 107.3161 60.3943 69.5457 174.3316 152 E 2.0000 8.0535 118.6424 57.2647 27.5192 174.3223 153 G 4.1336 7.7159 101.3402 47.7768 0.0000 176.7229 154 G 3.5830 7.8917 107.9566 46.6715 0.0000 174.8659 155 T 4.4086 7.7222 116.7711 64.7674 69.8703 176.4256 156 W 4.6882 8.4031 120.9767 60.0096 29.1650 178.7330 157 K 4.0844 8.4143 118.0460 59.2596 31.3940 177.9343 158 P 4.2993 0.0000 0.0000 65.2253 31.4226 176.7901 159 H 4.6032 8.0032 113.2301 54.9624 28.8671 175.2107 160 G 3.9374 8.0051 107.4664 46.4552 0.0000 174.3000 161 V 3.8200 8.1756 119.7734 62.2938 32.3604 175.8299 162 T 4.6606 7.9384 116.1940 59.2949 72.7732 175.0524 163 R 3.6413 8.5630 121.3134 59.7009 29.7068 178.2499 164 A 3.9860 7.9249 119.7463 55.2485 18.1112 179.6482 165 K 3.9371 7.5765 115.8073 59.5683 32.3900 179.5247 166 V 3.8060 7.6998 118.5465 66.0603 31.1453 177.8482 167 D 4.3814 8.5639 119.0319 57.1171 40.3456 178.8610 168 K 3.9843 7.6612 118.2885 58.8808 32.2821 178.6212 169 L 4.3110 8.0126 118.9995 56.6968 41.8935 178.8994 170 L 4.0582 7.4557 119.0894 57.3456 41.4436 177.6789 171 P 4.3655 0.0000 0.0000 65.1912 30.5442 178.7452 172 R 3.9161 8.0789 117.4494 58.9348 29.8943 179.0973 173 I 3.7513 7.6412 119.3456 64.3872 37.2975 177.6685 174 E 4.0915 8.2021 119.9640 59.4824 29.1545 178.7787 175 A 4.1670 8.2494 119.9792 54.5247 18.4253 179.0385 176 G 4.0841 7.2766 103.5728 45.5599 0.0000 174.3994 177 S 4.5321 7.8702 114.0402 56.1098 65.7025 175.4388 178 K 4.1435 8.8825 128.4737 59.5872 31.8454 179.2317 179 R 3.8830 7.9674 118.4794 59.4984 30.0728 178.4809 180 L 4.0637 8.1452 118.9634 57.4685 41.4543 179.6899 181 G 3.8963 8.7705 107.3758 47.2458 0.0000 175.5907 182 A 3.9892 8.2560 123.5209 54.8669 18.2842 179.0156 183 Y 3.8285 8.1503 117.7696 60.7737 38.8516 178.2205 184 A 4.0107 8.3768 121.8328 55.3621 18.4376 179.7524 185 R 3.8223 8.2816 116.5625 59.4275 30.1511 179.2285 186 A 3.8835 7.9962 120.5123 54.8074 18.2152 179.4523 187 L 3.5429 7.8199 119.2188 58.2493 42.1509 179.4816 188 V 3.6798 7.9900 118.3039 65.8864 31.4195 177.5250 189 D 4.3291 8.3275 119.1143 57.5369 40.7246 178.6136 190 E 3.9193 8.3139 119.3215 59.1511 29.6209 178.4460 191 A 3.9331 8.5936 121.2713 55.2898 18.4191 179.8652 192 V 3.6914 7.7879 117.8588 65.7360 31.4180 178.4140 193 R 3.8992 7.6605 116.5986 59.1468 30.0023 178.4459 194 R 4.0964 7.6959 115.0132 55.8398 30.2124 177.3395 195 G 3.9401 7.5850 106.9811 46.2477 0.0000 174.5892 196 Y 4.5603 8.0633 119.7096 59.7994 37.9192 175.2554 197 L 4.6767 7.6784 121.4490 52.7560 45.4541 175.3485 198 A 4.2499 8.7004 128.4988 51.4326 19.7116 175.2796 199 P 4.3669 0.0000 0.0000 63.0202 31.1956 176.3356 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 I 8.02 4.15 1.90 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 1.42 1.08 0.92 0.00 0.00 3 P 0.00 4.32 0.00 2.28 2.01 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 4 F 9.85 4.33 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.12 0.00 2.02 2.03 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 6 E 8.03 4.36 0.00 2.14 1.94 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 2.27 2.48 0.00 7 S 7.77 4.10 0.00 3.72 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 8 R 7.73 3.82 0.00 1.81 1.86 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 9 L 8.03 4.43 0.00 1.64 1.66 0.98 1.12 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 10 A 7.96 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 4.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.02 3.94 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.33 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 *14 S 8.05 4.41 0.00 4.04 4.31 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 15 F 8.29 4.06 0.00 3.12 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 16 V 7.70 3.52 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 0.85 0.00 0.00 1.07 0.00 0.00 17 V 7.64 3.66 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 0.94 0.00 0.00 0.91 0.00 0.00 18 E 8.12 3.84 0.00 2.12 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 2.15 2.16 0.00 19 I 7.39 3.71 1.55 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.45 -0.13 0.00 0.00 20 D 7.67 4.29 0.00 2.77 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 21 K 8.05 4.03 0.00 1.81 1.76 0.00 1.73 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.47 7.81 22 L 7.84 3.96 0.00 1.65 1.66 0.92 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.89 4.26 0.00 1.86 1.83 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 24 T 7.59 4.46 4.21 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 1.17 0.00 0.00 25 I 7.30 4.25 1.84 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 1.18 1.04 0.93 0.00 0.00 26 L 8.47 5.00 0.00 1.51 1.57 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.55 4.81 0.00 1.79 1.89 0.00 3.12 0.00 0.00 3.06 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 28 Q 8.61 4.13 0.00 1.71 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.90 0.00 0.00 0.00 0.00 0.00 2.15 1.53 0.00 29 T 7.84 3.97 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 30 L 7.76 4.95 0.00 1.62 1.56 0.93 0.93 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 31 L 8.58 4.34 0.00 1.66 1.73 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.64 3.82 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 33 D 8.06 4.58 0.00 2.77 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 34 S 8.34 3.78 0.00 3.97 3.94 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 35 S 8.47 4.22 0.00 3.98 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 36 R 7.18 4.42 0.00 1.83 2.01 0.00 2.95 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 37 R 8.61 4.49 0.00 1.71 2.02 0.00 3.30 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 38 E 9.24 4.49 0.00 2.07 1.83 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 2.38 2.34 0.00 39 N 9.51 4.94 0.00 3.12 2.92 0.00 0.00 6.89 7.91 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 40 D 8.94 4.39 0.00 2.93 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 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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 1.06 0.00 0.00 *51 A 7.99 4.26 1.12 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 52 F 7.69 4.41 0.00 3.33 3.05 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 53 L 8.17 4.10 0.00 1.68 1.78 0.91 0.82 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 54 L 7.58 4.84 0.00 1.94 1.96 0.85 0.76 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 55 A 7.84 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.84 3.86 0.00 1.77 1.83 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 1.47 1.47 0.00 57 Y 7.52 4.39 0.00 3.31 3.12 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 58 A 7.31 3.79 -0.08 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 67 V 7.81 3.73 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 0.93 0.00 0.00 1.12 0.00 0.00 68 A 7.96 4.06 1.14 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 0.00 0.00 0.00 69 R 7.93 4.17 0.00 1.97 2.09 0.00 3.22 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 *71 L 7.90 4.15 0.00 1.87 1.68 0.81 0.52 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 72 L 8.29 4.09 0.00 1.90 1.85 1.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.75 4.48 2.31 0.00 0.00 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 1.71 0.99 1.27 0.00 0.00 74 H 7.85 4.37 0.00 2.38 2.95 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.62 4.76 0.00 2.51 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 76 I 7.77 3.52 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.48 0.00 0.00 77 V 7.37 3.33 1.70 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 -0.33 0.00 0.00 0.65 0.00 0.00 78 E 8.29 4.00 0.00 2.14 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 0.00 2.37 2.44 0.00 79 I 7.25 3.69 1.79 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.37 0.79 0.00 0.00 80 D 7.79 4.56 0.00 2.55 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.08 4.26 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 82 G 7.80 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 0.00 0.00 0.00 83 D 8.04 4.93 0.00 2.78 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 84 T 8.17 4.74 4.30 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 0.00 0.00 0.00 0.00 121 L 7.79 3.84 0.00 1.75 1.73 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 122 W 8.28 4.33 0.00 3.60 3.45 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 0.00 123 Q 8.22 3.25 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 124 E 8.39 3.83 0.00 2.05 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 2.29 2.28 0.00 125 Y 7.83 4.04 0.00 3.04 3.26 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 0.00 126 E 7.98 3.86 0.00 1.70 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 0.00 2.08 1.76 0.00 127 A 7.88 3.96 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 0.00 128 R 7.30 3.59 0.00 1.92 1.80 0.00 2.97 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 129 E 8.14 4.30 0.00 1.92 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 2.19 2.45 0.00 130 T 7.48 4.21 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 1.18 0.00 0.00 131 A 8.41 3.97 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 0.00 132 D 8.11 4.34 0.00 2.71 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 0.00 133 A 7.98 4.05 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 0.00 134 R 8.27 3.84 0.00 1.90 2.02 0.00 3.30 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 135 F 8.34 4.24 0.00 3.11 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 0.00 136 A 8.31 3.90 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.47 4.26 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.94 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 0.00 139 L 7.57 3.75 0.00 1.63 1.50 0.45 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 140 D 7.94 4.35 0.00 2.81 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 0.00 141 R 8.20 4.18 0.00 1.99 1.97 0.00 3.32 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 142 L 7.91 4.02 0.00 1.85 1.77 1.03 0.23 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 0.00 143 Q 7.94 3.94 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 144 P 0.00 4.30 0.00 2.24 2.10 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 145 L 7.48 4.09 0.00 2.03 1.96 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.97 4.11 0.00 1.99 1.81 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.36 4.18 0.00 3.28 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.21 3.89 0.00 1.74 1.42 0.00 0.00 6.65 8.76 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 0.00 149 F 8.27 4.23 0.00 3.44 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 0.00 150 E 8.18 4.11 0.00 2.11 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 2.67 2.49 0.00 151 T 7.56 4.20 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 1.20 0.00 0.00 152 E 8.05 2.00 0.00 1.83 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 153 G 7.72 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 0.00 154 G 7.89 3.58 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 0.00 0.00 0.00 155 T 7.72 4.41 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 1.14 0.00 0.00 156 W 8.40 4.69 0.00 3.49 3.14 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 0.00 157 K 8.41 4.08 0.00 1.99 1.92 0.00 1.95 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.81 7.81 158 P 0.00 4.30 0.00 1.95 2.05 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 2.15 2.10 0.00 159 H 8.00 4.60 0.00 3.43 3.57 0.00 5.77 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 0.00 160 G 8.01 3.94 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 0.00 0.00 0.00 161 V 8.18 3.82 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.32 0.00 0.00 162 T 7.94 4.66 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 1.19 0.00 0.00 163 R 8.56 3.64 0.00 1.78 1.89 0.00 3.02 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 164 A 7.92 3.99 1.29 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 0.00 165 K 7.58 3.94 0.00 1.71 1.75 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.40 7.81 166 V 7.70 3.81 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 1.09 0.00 0.00 0.81 0.00 0.00 167 D 8.56 4.38 0.00 2.88 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 0.00 168 K 7.66 3.98 0.00 2.16 1.87 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.35 7.81 169 L 8.01 4.31 0.00 1.86 1.72 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.46 4.06 0.00 1.59 1.73 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.37 0.00 2.14 2.09 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 172 R 8.08 3.92 0.00 2.02 2.11 0.00 3.08 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 173 I 7.64 3.75 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.94 0.95 0.00 0.00 174 E 8.20 4.09 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 175 A 8.25 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.28 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 S 7.87 4.53 0.00 4.22 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 0.00 178 K 8.88 4.14 0.00 1.87 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.53 7.81 179 R 7.97 3.88 0.00 2.00 1.94 0.00 3.26 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 180 L 8.15 4.06 0.00 1.74 1.65 0.93 0.22 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 0.00 181 G 8.77 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 0.00 182 A 8.26 3.99 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 0.00 183 Y 8.15 3.83 0.00 2.95 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 0.00 184 A 8.38 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 3.82 0.00 1.96 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 186 A 8.00 3.88 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 0.00 187 L 7.82 3.54 0.00 1.37 1.73 -0.02 1.23 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 0.00 188 V 7.99 3.68 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 0.86 0.00 0.00 1.11 0.00 0.00 189 D 8.33 4.33 0.00 2.85 2.68 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 0.00 190 E 8.31 3.92 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 191 A 8.59 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.79 3.69 2.14 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 1.16 0.00 0.00 0.90 0.00 0.00 193 R 7.66 3.90 0.00 1.95 1.93 0.00 3.18 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 194 R 7.70 4.10 0.00 0.67 1.13 0.00 2.25 0.00 0.00 2.78 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 195 G 7.59 3.94 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 0.00 0.00 0.00 196 Y 8.06 4.56 0.00 3.30 3.26 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 0.00 197 L 7.68 4.68 0.00 0.71 1.08 -0.02 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 198 A 8.70 4.25 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 0.00 199 P 0.00 4.37 0.00 2.05 2.00 0.00 3.77 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 1.95 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.