NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 Y 4.6967 8.1449 121.6669 57.6836 40.8225 176.7987 -3 F 4.3216 7.6662 119.4236 56.8036 37.7399 173.8165 *5 E 4.0571 8.1453 116.5763 55.4124 31.1829 177.2358 6 Q 4.2167 8.3411 125.8068 54.0716 30.0677 174.8505 7 P 4.4283 0.0000 0.0000 62.4990 33.3429 177.3175 8 A 4.0215 8.7810 123.5582 55.8042 18.3042 179.9735 9 Y 4.2359 8.2959 115.4271 60.0610 38.0590 178.1554 10 L 3.4960 7.0925 120.3578 56.9824 41.7677 179.2375 11 R 3.9209 7.9197 118.3637 59.2019 30.0613 179.0920 12 V 3.1050 8.0194 117.9107 65.9551 31.4402 177.7147 13 A 3.9849 8.0076 120.6648 55.2395 18.1405 179.8322 14 G 3.4620 8.2334 104.4998 47.9037 0.0000 175.4968 15 D 4.3715 7.9801 120.4399 57.1538 41.2331 178.3839 16 L 4.0731 7.8890 119.6073 57.4905 41.5110 179.3591 17 R 3.8352 8.2483 119.1424 59.1729 30.0319 178.3937 18 K 3.8770 8.0591 119.3232 59.6906 32.1807 178.8067 19 K 4.2197 8.0587 118.5639 59.5909 31.3551 179.4580 20 I 3.8952 7.9043 120.2956 64.3705 36.8529 178.6257 21 V 3.6641 7.9409 118.4033 65.8327 31.3754 177.3053 22 D 4.5359 8.3945 118.6030 57.0682 40.8539 177.9103 23 G 4.0935 7.8813 104.0522 45.2130 0.0000 174.5385 24 S 4.1989 8.0731 115.1382 60.9719 62.8416 174.3613 25 L 4.5993 7.7156 120.5189 51.9481 41.5238 174.4038 26 P 4.5061 0.0000 0.0000 60.9948 32.3167 174.5656 27 P 4.6066 0.0000 0.0000 64.8036 31.5888 176.8639 28 H 4.4503 9.3217 118.4876 56.0787 27.5998 175.2253 29 T 4.5376 7.7780 117.2213 62.5112 69.8936 174.6363 30 R 3.8158 8.4006 124.7746 55.7311 30.6741 176.4634 31 L 4.1123 9.0958 126.8586 54.2250 42.7999 175.1100 32 P 4.3171 0.0000 0.0000 62.8475 32.0247 176.9973 33 S 4.4118 8.3284 115.9263 57.8246 65.1048 175.2811 34 Q 3.9720 8.6420 120.8532 59.3540 28.5502 179.3554 35 A 4.0079 7.9584 120.9576 55.2008 18.3892 179.5317 36 R 3.8927 7.9787 117.2556 59.5267 30.1620 178.8109 37 I 3.9866 8.2327 120.1200 64.4332 37.0967 178.5195 38 R 3.9678 8.0705 118.9191 59.2727 29.4125 178.8251 39 E 3.8895 8.0825 118.4236 59.3148 29.5443 178.3312 40 E 3.8100 8.3581 118.7227 58.8620 29.7150 176.8817 41 Y 4.4005 8.1117 113.3737 56.8200 38.7732 175.3956 42 G 3.9715 7.6108 107.1782 47.1078 0.0000 173.6873 43 V 4.5007 7.5276 110.4525 58.5338 35.1055 176.8243 44 S 4.4144 8.2102 116.3499 58.1032 64.9560 174.7491 45 D 4.3228 8.5265 121.1720 57.9074 40.9387 178.4465 46 T 3.8615 7.8375 115.7876 66.4654 68.4522 176.6862 47 V 3.5820 7.8340 120.0006 65.9636 31.5059 177.9124 48 A 3.9596 8.0176 120.5471 55.0204 18.3087 179.3900 49 L 4.2022 7.9885 120.1477 58.0188 42.2706 179.1702 50 E 4.0419 8.7004 118.6863 59.0331 29.0188 179.1362 51 A 4.1612 8.2937 121.2682 55.2525 18.2182 179.6875 52 R 3.8542 7.6361 115.8485 59.4611 30.2128 178.6132 53 K 4.1388 7.8605 117.3726 59.0710 32.2705 179.1578 54 V 3.8520 7.8221 118.6352 65.9448 31.3946 179.6892 55 L 4.1457 7.4597 115.8750 55.0853 40.7199 179.0096 *57 A 4.2511 8.0175 123.7065 52.3202 20.1921 178.6267 58 E 4.0707 8.3357 113.3553 56.9895 29.7381 177.6491 59 G 3.9260 8.1077 106.2999 46.2990 0.0000 174.4482 60 L 4.3908 8.1000 122.0322 56.0395 42.8925 177.0622 61 V 5.1661 7.6529 109.7949 59.7757 35.7311 174.1570 62 E 4.7458 9.4338 119.8279 55.3489 33.4682 174.2318 63 G 4.2921 8.4145 107.2737 45.5655 0.0000 173.6297 64 R 4.3850 8.6849 117.7333 57.4944 32.4157 176.2881 *67 S 4.4712 8.1811 114.5924 57.4633 64.2971 178.3471 68 G 4.3979 7.8742 107.9518 44.8528 0.0000 170.7789 69 T 5.0961 8.0708 114.8111 61.9627 71.2920 173.1170 70 Y 5.0021 9.7487 124.5423 55.6531 41.2632 175.4508 71 V 4.0625 8.6269 124.2726 63.3857 32.5875 175.3585 72 R 4.3601 8.7079 127.8858 55.8100 30.9768 176.1811 73 E 4.0759 8.5904 124.4175 55.3224 29.4825 176.0165 74 R 4.3535 8.3460 126.9666 53.8133 30.5413 174.9008 75 P 4.2422 0.0000 0.0000 63.3115 31.6083 177.1993 76 V 3.7245 8.1189 118.1026 60.3469 32.0681 173.9784 77 P 4.6534 0.0000 0.0000 61.6101 32.2679 175.9736 78 R 4.6303 8.4045 121.4363 54.7982 32.8476 175.4085 79 R 4.8506 8.4694 120.5261 55.1010 31.9931 176.2572 80 V 4.1895 8.8928 124.2778 61.3057 32.8809 174.5473 81 A 4.4610 9.2742 132.1291 51.6250 19.4450 175.9988 82 R 4.6001 8.3180 122.9013 54.7504 31.6483 176.1825 83 S 4.5100 8.3950 115.9613 57.4627 65.1539 174.0859 84 G 3.8410 8.0954 112.6196 45.8062 0.0000 173.5977 85 Y 4.6340 7.0859 117.4281 57.2712 38.8273 175.1450 86 R 4.4337 8.3413 120.1799 55.0009 31.7578 177.7491 87 P 4.5181 0.0000 0.0000 62.7689 31.0451 176.1847 *89 S 4.3840 8.2703 117.1293 57.2225 64.5506 170.6518 90 G 4.1848 8.1363 108.2664 43.6987 0.0000 173.1049 91 A 4.2799 8.3954 125.8926 51.8325 19.5160 177.4666 92 T 5.3464 8.2064 112.9657 58.6213 73.1207 173.2035 93 P 3.8910 0.0000 0.0000 65.6501 30.8464 178.4723 94 F 3.3931 7.3364 119.9255 61.0299 39.2970 177.0735 95 R 4.1362 7.8341 118.1741 58.6939 29.8989 177.8992 96 Q 3.9832 7.7659 118.8899 58.5338 29.0223 177.1808 97 E 4.2802 6.9430 116.9859 56.0817 30.3365 175.5492 98 Q 4.0552 7.5062 120.2443 53.6437 29.3466 175.3872 99 A 4.0181 8.7408 128.5237 53.5710 18.9359 177.0859 100 D 4.4104 8.1681 115.7520 53.8438 40.5796 176.6822 101 G 3.7295 8.7333 116.8194 48.3992 0.0000 173.2445 102 A 4.0318 8.2524 121.5893 53.7274 18.5520 177.2813 103 V 4.1218 7.6640 116.3877 61.4426 31.7527 175.3262 104 R 4.3035 8.5335 127.4753 55.5218 31.0740 175.9571 105 G 3.0987 8.0530 110.2986 44.2992 0.0000 170.8273 106 T 5.1169 8.5566 110.3998 59.6726 72.8710 172.3339 107 W 5.8737 8.0354 117.0905 55.3488 31.4049 173.8131 108 E 5.0581 9.4042 120.2913 54.8394 32.6536 175.2002 109 S 5.4342 8.4999 115.7160 56.5589 67.0150 172.6186 110 H 4.4239 7.5485 118.9845 54.6735 32.8825 171.7400 111 S 5.1599 8.0791 121.6014 56.6507 65.1529 173.2982 112 E 4.6729 8.6300 120.8446 54.9783 32.3750 175.1616 113 Q 4.5558 8.7116 121.0286 56.7441 29.8984 174.9361 114 A 4.5264 8.4703 120.1824 51.3782 23.3651 175.2507 115 E 4.5958 8.7671 119.0828 55.3333 30.8300 176.7255 116 A 4.1655 8.8289 127.4532 51.6946 19.6252 177.6810 117 S 4.4524 8.6815 117.4574 57.6538 64.2347 175.4750 118 G 3.6434 8.7224 106.9258 48.0470 0.0000 175.7149 119 A 3.9245 7.7280 122.5803 54.9273 18.4941 179.6817 120 I 3.3683 7.4703 118.0411 63.9352 37.0417 178.2989 121 A 3.9050 8.3098 122.1286 55.2924 18.0511 179.3473 122 E 3.8477 8.2209 117.6497 59.5238 29.5052 179.2802 123 R 3.9784 7.7080 116.5442 58.2858 30.1926 177.9259 124 L 4.3107 7.6638 116.3784 53.2318 42.9369 175.4611 125 D 4.3535 7.7176 118.0092 55.4723 39.8826 171.9826 126 I 4.7121 7.6711 109.9248 58.3910 41.3510 175.4149 127 R 4.0486 8.2275 119.5420 55.2608 30.4572 174.9759 128 P 4.3749 0.0000 0.0000 64.2990 31.7810 176.8830 129 G 3.9932 9.0881 110.6957 45.3148 0.0000 173.7118 130 E 4.1730 7.8006 121.3526 56.1359 31.0560 176.3288 131 R 4.7792 8.5364 124.4965 55.2876 31.8851 175.0085 132 V 5.0373 8.7674 117.0728 60.0979 35.2699 177.3691 *134 C 4.4607 8.7724 131.7915 60.4917 32.6159 171.0911 135 T 4.7623 8.5467 123.0325 61.5789 71.3029 173.1195 136 K 5.0347 8.4062 125.5817 54.8951 35.0995 174.9433 137 Y 5.2148 9.3220 121.4945 56.1478 41.7646 174.6817 138 V 4.5185 9.0837 123.1769 61.1805 34.0795 174.0779 139 F 5.7097 8.8074 126.2924 56.0547 41.7202 174.8138 140 R 4.9775 9.6060 121.9031 54.4943 33.7560 174.5121 141 D 4.9721 9.5932 123.0700 52.2079 42.6357 176.1944 142 A 3.7631 9.0034 132.4137 53.2339 16.4945 177.5029 143 G 3.9519 8.2442 108.6071 45.2379 0.0000 172.6668 144 E 4.3819 7.8338 121.5483 54.2807 30.3171 175.9162 145 V 4.4111 8.0224 125.3303 62.2800 32.6038 174.3344 *148 L 4.3623 7.9787 120.8585 55.0733 43.3374 176.0166 149 S 5.8205 8.5240 112.9417 58.4804 66.6418 173.1649 150 T 4.8711 8.6312 122.1357 61.6592 71.5889 172.6203 151 S 5.0721 8.6600 121.1776 56.1001 65.6824 172.5132 152 W 5.1632 9.7553 126.3798 54.9411 32.3722 174.3473 153 E 5.0694 8.6979 122.4019 53.7934 33.2428 173.5410 154 P 4.6558 0.0000 0.0000 62.2474 32.1504 177.6083 155 L 4.0579 8.6129 123.3395 57.0286 41.2322 179.3254 156 A 4.1414 8.0323 120.1372 54.5577 18.2921 178.9433 157 V 3.9291 7.7504 116.0288 64.9036 32.4097 176.9001 158 T 4.3770 7.6754 106.4374 61.3690 70.0169 174.5411 159 G 3.7227 8.1365 112.9784 47.0685 0.0000 173.5657 160 R 3.9225 8.8307 121.6583 57.0479 27.3374 175.7584 161 T 4.7170 7.2996 106.5514 58.8940 71.3453 172.5522 162 P 4.3397 0.0000 0.0000 64.5320 31.4095 177.6399 163 V 4.0048 7.0330 112.2486 59.1413 30.8585 173.5494 *165 L 4.0618 7.8718 121.9280 53.5620 42.6963 176.2935 166 P 4.3289 0.0000 0.0000 65.0151 31.5617 177.6050 167 E 5.1220 8.0859 116.4882 55.8640 29.8530 174.9576 168 E 4.7125 7.8981 116.8981 55.7521 34.0320 176.2411 169 G 3.9494 8.5965 108.5268 44.0356 0.0000 172.4491 170 P 4.3652 0.0000 0.0000 64.8776 31.2242 177.3759 171 V 4.4562 7.6112 116.6713 60.8785 31.9072 175.7236 172 G 3.6509 7.2469 108.8230 46.8704 0.0000 173.7680 173 G 3.8316 8.8730 109.1363 45.6762 0.0000 172.3473 *175 G 3.8359 7.3016 107.5430 44.9532 0.0000 173.1997 176 V 3.4011 8.4361 118.8092 65.8342 31.5514 177.6383 177 V 3.5190 7.3404 117.6966 65.8294 32.0211 176.8705 178 E 4.0973 8.1088 118.9853 59.5758 28.5276 179.8791 179 R 4.0180 7.9295 114.6560 56.7956 29.6118 178.3206 *181 A 4.5809 8.0961 123.4150 52.1886 20.3377 179.7741 182 A 4.1260 7.9131 117.5783 54.3031 18.2481 178.0092 183 I 4.3815 7.1530 110.1478 60.8140 37.9405 176.1913 184 D 4.8703 7.9141 117.3400 56.0782 38.6790 173.7744 185 V 4.0896 7.2324 119.0713 61.2925 31.8531 175.6670 186 I 4.1561 8.0250 129.5602 59.4031 36.6614 175.1803 187 V 4.1779 8.2171 126.2750 62.9002 31.6831 175.2115 188 D 5.0862 9.2062 125.9203 53.2251 41.1893 175.5899 189 N 5.3319 8.1710 115.8374 51.7975 43.5201 173.6126 190 V 5.0982 8.3071 120.2373 60.3851 34.6538 174.3929 191 T 4.6695 8.8129 114.7547 60.1210 71.2295 173.3519 192 E 5.1534 8.6089 123.1194 54.7546 33.2670 174.4848 193 E 4.5854 9.2060 124.4638 54.5050 32.3151 175.1005 194 V 4.5650 8.5252 125.2439 61.5705 32.9016 174.8332 195 G 4.4454 9.0740 114.8586 44.4001 0.0000 170.8076 196 A 5.4585 8.2254 119.7968 50.6130 22.3480 175.6518 197 R 4.5606 8.5906 115.3728 54.4869 33.3022 172.4895 198 P 4.7424 0.0000 0.0000 62.7182 31.8764 176.8749 199 G 3.8878 9.1787 111.2019 45.9210 0.0000 173.7079 200 L 4.3185 9.1647 122.0258 53.9917 42.7733 178.1604 201 A 4.0173 8.9602 124.2678 55.7038 18.0471 180.1299 202 E 4.1059 8.2578 115.2644 59.5714 29.5695 179.1895 203 E 3.8647 8.0613 118.8839 59.3410 29.8174 179.0194 204 L 4.0921 8.4442 119.2915 57.7822 41.4132 179.6725 205 L 4.0093 8.2661 118.4853 58.1384 41.6278 179.4174 206 T 3.9941 7.4843 114.7432 66.3521 68.5051 176.3185 207 L 4.2918 8.3668 119.0714 54.8210 41.8965 177.5409 208 G 3.7701 8.1368 107.0172 46.2261 0.0000 173.8273 209 G 4.0256 7.8888 108.1533 43.7162 0.0000 174.0800 210 V 4.1137 7.1179 111.7109 58.8050 33.0712 174.2719 211 P 4.3708 0.0000 0.0000 64.7602 31.4867 177.0017 212 G 4.0495 8.9422 110.6438 45.3802 0.0000 173.4854 213 H 4.3186 8.0986 117.4256 56.3991 30.0231 174.8682 214 V 4.4991 8.3880 121.9571 62.4063 33.2298 174.9807 215 V 4.9867 8.8748 120.0327 59.4491 35.5428 174.6643 216 L 4.7840 8.9360 123.9838 54.2773 43.2657 176.0192 217 V 4.8284 8.7839 123.7302 61.2389 34.3304 174.2144 218 I 4.6398 9.0006 130.2776 60.2754 38.7129 174.9230 219 Q 4.8777 9.1586 130.4347 55.2311 30.0784 174.1643 220 R 5.0652 9.2159 128.0842 54.8028 33.2384 174.6022 221 T 4.9803 8.5856 121.7856 62.0398 72.3396 172.7139 222 Y 4.8936 8.7678 124.9367 57.5047 39.6978 174.6725 223 F 5.3386 9.5697 121.5439 55.6020 43.1493 174.1680 224 A 5.0117 8.9758 124.2371 49.1224 21.4677 176.4801 225 S 3.5208 10.3050 120.6039 60.2659 60.9786 174.2349 226 G 4.0468 8.7008 108.5378 45.0528 0.0000 173.9546 227 R 4.6592 7.7432 116.8879 53.6798 31.0754 174.2215 228 P 4.2134 0.0000 0.0000 62.7621 31.7534 176.4129 229 V 4.4106 8.1193 114.9832 61.3674 33.9725 175.5165 230 E 5.0031 7.6797 119.5472 55.4157 33.0375 173.6832 231 T 5.2683 9.1099 120.0256 60.6377 71.4265 172.2263 232 A 5.3962 9.4682 127.2947 50.9618 23.6422 174.8472 233 D 5.4114 9.2841 120.4456 52.8655 43.2333 175.5957 234 V 4.8592 8.9585 124.9591 61.0435 33.8125 174.4763 235 V 4.9670 9.1463 128.3263 61.2729 33.6713 175.0150 236 V 4.5505 8.5549 120.1396 58.6584 36.4062 173.2266 237 P 4.7353 0.0000 0.0000 62.5935 31.6036 177.4201 238 A 4.2683 8.8495 127.5737 54.6476 18.3480 178.4721 239 D 4.4474 8.3347 113.8572 55.2902 40.1149 177.0357 240 R 4.4313 8.0036 117.3469 56.1039 33.1083 175.1370 241 Y 5.3097 8.0382 114.4389 56.1283 41.9186 175.2910 242 R 4.7658 8.9792 119.5303 54.4782 34.6849 174.7568 243 V 4.5161 8.4867 121.6927 61.7514 32.6389 174.6752 244 A 4.7821 8.6124 130.7193 50.4453 21.0138 174.9159 245 Y 4.9173 8.6807 119.4721 56.2654 41.5482 174.8915 246 H 4.8276 8.9454 121.1428 54.4136 32.1192 172.6512 247 L 4.8532 8.1371 126.1242 52.1771 44.4103 174.7663 248 P 4.4602 0.0000 0.0000 62.2229 32.1014 176.1058 249 V 4.2859 8.3323 122.3947 61.7362 33.2313 176.3664 250 K 4.2369 8.5429 127.6460 54.7353 32.6226 172.2497 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 4.70 0.00 2.73 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 -3 F 7.67 4.32 0.00 3.09 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 *5 E 8.15 4.06 0.00 2.01 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 2.13 1.88 0.00 6 Q 8.34 4.22 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 7 P 0.00 4.43 0.00 2.36 2.20 0.00 3.64 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 2.23 2.24 0.00 8 A 8.78 4.02 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 9 Y 8.30 4.24 0.00 3.35 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 10 L 7.09 3.50 0.00 1.54 1.47 0.79 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.92 3.92 0.00 1.99 1.95 0.00 3.14 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 12 V 8.02 3.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.77 0.00 0.00 13 A 8.01 3.98 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 14 G 8.23 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 15 D 7.98 4.37 0.00 2.98 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 16 L 7.89 4.07 0.00 1.70 1.68 0.81 0.93 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 17 R 8.25 3.84 0.00 1.95 2.06 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 18 K 8.06 3.88 0.00 2.03 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 19 K 8.06 4.22 0.00 2.07 1.87 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.66 7.81 20 I 7.90 3.90 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.91 0.00 0.00 21 V 7.94 3.66 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 0.83 0.00 0.00 1.01 0.00 0.00 22 D 8.39 4.54 0.00 2.79 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 23 G 7.88 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 24 S 8.07 4.20 0.00 3.99 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 25 L 7.72 4.60 0.00 1.59 1.60 0.93 1.07 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 26 P 0.00 4.51 0.00 2.21 1.98 0.00 3.63 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 2.33 0.00 27 P 0.00 4.61 0.00 2.03 2.00 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 28 H 9.32 4.45 0.00 3.35 3.56 0.00 5.65 0.00 0.00 0.00 0.00 7.04 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 0.00 108 E 9.40 5.06 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 109 S 8.50 5.43 0.00 3.11 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 7.55 4.42 0.00 2.31 2.03 0.00 5.81 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.08 5.16 0.00 3.58 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 0.00 112 E 8.63 4.67 0.00 1.87 1.73 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 2.15 2.25 0.00 113 Q 8.71 4.56 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 114 A 8.47 4.53 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.77 4.60 0.00 1.87 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 0.00 2.30 2.32 0.00 116 A 8.83 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.72 4.35 0.00 2.75 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 0.00 126 I 7.67 4.71 2.01 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 1.43 0.83 0.91 0.00 0.00 127 R 8.23 4.05 0.00 1.89 1.88 0.00 3.14 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 128 P 0.00 4.37 0.00 2.01 1.97 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 129 G 9.09 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 0.00 130 E 7.80 4.17 0.00 2.16 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 2.29 0.00 131 R 8.54 4.78 0.00 1.82 1.84 0.00 3.12 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 132 V 8.77 5.04 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 1.08 0.00 0.00 1.17 0.00 0.00 *134 C 8.77 4.46 0.00 3.08 2.96 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 0.00 135 T 8.55 4.76 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 0.56 0.00 0.00 136 K 8.41 5.03 0.00 1.72 1.95 0.00 1.51 0.00 0.00 1.09 0.00 0.00 2.66 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.18 7.81 137 Y 9.32 5.21 0.00 2.49 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 0.00 138 V 9.08 4.52 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 0.92 0.00 0.00 0.60 0.00 0.00 139 F 8.81 5.71 0.00 3.12 3.28 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 0.00 140 R 9.61 4.98 0.00 1.73 1.89 0.00 3.11 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 141 D 9.59 4.97 0.00 2.87 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 0.00 142 A 9.00 3.76 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 0.00 143 G 8.24 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 0.00 0.00 0.00 144 E 7.83 4.38 0.00 2.07 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 2.31 2.28 0.00 145 V 8.02 4.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.93 0.00 0.00 *148 L 7.98 4.36 0.00 1.46 1.04 0.30 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.52 5.82 0.00 4.17 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 0.00 150 T 8.63 4.87 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 0.20 0.00 0.00 151 S 8.66 5.07 0.00 3.92 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 0.00 152 W 9.76 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0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 161 T 7.30 4.72 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 0.00 162 P 0.00 4.34 0.00 2.06 2.15 0.00 3.64 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 2.03 2.10 0.00 163 V 7.03 4.00 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 0.76 0.00 0.00 0.97 0.00 0.00 *165 L 7.87 4.06 0.00 1.72 1.63 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 4.33 0.00 2.25 2.18 0.00 3.51 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 2.10 2.13 0.00 167 E 8.09 5.12 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 168 E 7.90 4.71 0.00 1.95 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 2.22 2.24 0.00 169 G 8.60 3.95 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 1.73 0.00 0.00 0.00 0.00 0.00 0.00 205 L 8.27 4.01 0.00 1.60 1.73 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 206 T 7.48 3.99 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 207 L 8.37 4.29 0.00 1.63 1.73 0.88 0.90 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 0.00 208 G 8.14 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 0.00 209 G 7.89 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 0.00 210 V 7.12 4.11 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 0.65 0.00 0.00 0.70 0.00 0.00 211 P 0.00 4.37 0.00 2.03 2.02 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 212 G 8.94 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 0.00 213 H 8.10 4.32 0.00 3.28 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 V 8.39 4.50 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 215 V 8.87 4.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.02 0.00 0.00 216 L 8.94 4.78 0.00 1.59 1.61 1.02 0.80 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 0.00 217 V 8.78 4.83 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 1.14 0.00 0.00 0.98 0.00 0.00 218 I 9.00 4.64 1.88 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 1.17 0.48 0.99 0.00 0.00 219 Q 9.16 4.88 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 220 R 9.22 5.07 0.00 1.76 1.66 0.00 2.74 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.46 0.00 221 T 8.59 4.98 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 0.65 0.00 0.00 222 Y 8.77 4.89 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 0.00 223 F 9.57 5.34 0.00 3.05 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 0.00 224 A 8.98 5.01 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 S 10.30 3.52 0.00 4.06 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 0.00 226 G 8.70 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 0.00 227 R 7.74 4.66 0.00 2.08 2.12 0.00 2.81 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 228 P 0.00 4.21 0.00 2.06 1.64 0.00 3.65 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 229 V 8.12 4.41 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 0.65 0.00 0.00 0.97 0.00 0.00 230 E 7.68 5.00 0.00 2.04 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 2.57 2.49 0.00 231 T 9.11 5.27 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 232 A 9.47 5.40 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 0.00 233 D 9.28 5.41 0.00 2.86 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 0.00 234 V 8.96 4.86 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 0.68 0.00 0.00 0.99 0.00 0.00 235 V 9.15 4.97 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 0.84 0.00 0.00 1.00 0.00 0.00 236 V 8.55 4.55 1.90 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 0.41 0.00 0.00 0.91 0.00 0.00 237 P 0.00 4.74 0.00 2.34 2.07 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 238 A 8.85 4.27 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 0.00 239 D 8.33 4.45 0.00 2.76 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 0.00 240 R 8.00 4.43 0.00 1.77 1.43 0.00 3.05 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 241 Y 8.04 5.31 0.00 2.98 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 0.00 242 R 8.98 4.77 0.00 1.74 1.79 0.00 3.11 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 243 V 8.49 4.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.95 0.00 0.00 244 A 8.61 4.78 1.18 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 0.00 0.00 245 Y 8.68 4.92 0.00 2.84 2.85 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 0.00 246 H 8.95 4.83 0.00 3.07 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 L 8.14 4.85 0.00 1.61 1.52 0.87 1.15 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 0.00 248 P 0.00 4.46 0.00 2.06 2.01 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 249 V 8.33 4.29 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 0.79 0.00 0.00 0.92 0.00 0.00 250 K 8.54 4.24 0.00 1.76 1.49 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 0.96 7.81 * Residues marked with a * may have inaccurate shift predictions.