NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.4674 8.3033 118.9445 55.6527 31.5745 175.3003 16 S 5.1675 7.8524 115.4692 54.0213 67.3632 171.4142 17 F 5.0603 8.9976 116.0807 55.5886 41.7713 173.2344 18 L 4.7393 8.6166 119.1661 53.2724 44.0052 174.7025 19 Y 5.4158 9.2083 125.4020 55.9588 41.3426 174.0722 20 F 4.7799 9.2739 130.5073 56.9079 39.8291 174.7912 21 A 4.3028 7.7885 128.8155 50.8970 20.9255 177.1359 22 Y 4.7777 7.6257 113.1413 56.7718 42.2131 175.3342 23 G 4.2460 6.9096 111.7948 45.4123 0.0000 177.3037 24 S 4.0934 8.6418 121.9628 60.0216 63.3437 175.1497 25 N 4.6737 8.0246 116.9104 53.8990 37.8901 176.6780 26 L 4.2274 7.7980 120.3723 56.8935 42.2415 177.5466 27 L 4.5814 7.8596 121.1395 54.4043 43.5601 176.6806 28 T 4.2038 10.0936 125.5049 67.2285 68.3894 176.2568 29 E 4.0033 8.1964 119.8196 59.1532 29.8536 178.7775 30 R 4.0399 7.8015 118.4407 59.5303 30.5643 178.2123 31 I 3.9585 7.7238 119.5909 63.4436 37.6187 176.9419 32 H 4.6077 7.7336 115.0162 57.1891 28.5996 177.1356 33 L 4.0971 7.6850 121.3317 57.7082 41.6771 178.8576 34 R 4.3767 7.7868 115.1150 56.1430 32.4316 176.4468 35 N 5.0222 7.6741 115.8150 50.3244 38.5996 172.9972 36 P 4.2095 0.0000 0.0000 65.7388 31.7067 178.2625 37 S 4.4111 7.9059 109.9176 57.8218 63.3998 173.8674 38 A 4.0341 7.9291 125.1602 52.6213 18.6309 176.8011 39 A 5.1381 8.9975 124.9110 49.6678 21.7765 175.5915 40 F 2.8318 9.3092 125.4433 58.9072 39.3068 173.3716 41 F 4.4440 8.0006 130.4043 58.4707 39.0146 175.7824 42 C 4.2426 6.9450 109.8421 57.3232 33.3667 172.3098 43 V 4.6612 8.2755 118.9060 62.0648 32.3931 174.5726 44 A 4.9376 9.3922 127.6955 50.7144 23.4967 174.4927 45 R 3.6743 8.1880 119.4989 53.9450 32.7084 174.8293 46 L 4.3533 8.4179 128.6179 53.0158 42.1471 175.1475 47 Q 4.2314 8.2391 127.8696 56.3839 30.7063 175.5276 48 D 4.8033 9.3947 122.9587 55.1794 39.0291 173.2114 49 F 5.0592 7.5797 115.6368 55.4149 42.6946 174.5198 50 K 4.4297 8.7959 122.6955 54.1835 34.8205 175.3996 51 L 4.4985 8.4736 129.0768 55.5727 43.1232 174.9316 52 D 4.8932 8.6971 122.4660 53.4876 45.4618 173.7069 53 F 5.2724 8.7028 119.6537 55.7448 43.4033 174.6667 54 G 4.3001 8.3976 107.5545 46.6396 0.0000 171.3904 55 N 5.0334 8.6784 118.2866 51.3850 39.9370 175.2755 56 S 4.4471 8.6354 120.0281 59.0103 63.6658 174.1560 57 Q 3.6030 10.3959 127.2860 57.0357 26.6919 173.8094 58 G 3.9849 8.0575 101.9997 46.4846 0.0000 174.2002 59 K 4.4940 8.0835 119.3544 54.2540 33.5842 176.5419 60 T 4.8608 8.3242 120.8515 62.1575 69.3580 174.5575 61 S 4.0379 8.0203 118.0850 59.1506 62.6107 174.5404 62 Q 4.1511 8.5277 125.3024 56.6402 29.2542 176.3158 63 T 4.0308 7.5454 114.1864 64.6535 69.5777 175.7544 64 W 4.6832 8.2390 119.0484 56.5898 30.0330 175.9225 65 H 3.7866 7.6129 114.4712 56.0627 25.2496 173.4931 66 G 3.9736 7.1411 104.2399 45.6856 0.0000 173.5461 67 G 4.3045 8.9836 107.8562 45.6457 0.0000 173.2503 68 I 4.4460 8.2658 116.1051 58.3330 40.6819 174.8412 69 A 4.0635 9.0083 125.7199 52.7706 18.9843 176.6716 70 T 5.5260 9.1225 115.5071 61.2449 71.8165 172.0551 71 I 5.1353 8.2148 115.9060 59.1596 40.5681 174.3270 72 F 5.2482 8.4452 118.3867 54.9853 41.8066 173.8060 73 Q 3.7070 8.6420 119.3101 56.0446 29.5554 176.3335 74 S 4.3597 9.4202 118.7546 57.0001 64.9889 171.9599 75 P 4.5329 0.0000 0.0000 64.4888 31.4969 177.3475 76 G 3.9577 9.6806 111.2859 45.1417 0.0000 172.7303 77 D 5.2018 7.7697 119.3638 52.7225 43.9709 174.9534 78 E 5.1510 8.4856 116.5634 55.1942 33.2551 174.8575 79 V 4.4096 8.4003 119.9129 61.4117 34.8230 173.9791 80 W 4.9905 7.4521 127.4476 55.5867 31.3784 175.2258 81 G 4.0114 9.2265 108.7366 46.2304 0.0000 171.5992 82 V 4.3694 7.9263 119.5834 61.2913 33.1675 174.7291 83 V 4.5241 8.8432 129.0949 61.9561 33.0443 174.7072 84 W 5.1577 9.4646 127.2030 54.8036 32.8137 174.4033 85 K 4.6995 9.5099 123.9079 54.7763 34.7206 175.0162 *87 N 4.9140 8.4321 121.0345 52.9956 39.7227 176.0314 88 K 4.4466 8.9398 121.4791 59.0330 32.3126 178.9793 89 S 4.4747 8.0928 111.6759 59.4715 63.3742 174.9868 90 N 4.6615 8.4672 119.3532 54.8311 38.5884 176.8146 91 L 3.7418 7.6542 121.2235 58.0286 41.6256 179.1984 92 N 4.2477 8.0776 115.3212 56.3647 38.5084 177.1519 93 S 4.0454 7.9507 113.7247 61.4109 62.6898 175.5790 94 L 3.6890 8.1843 123.3220 58.3118 41.2839 178.5862 95 D 4.2827 8.4980 119.0367 57.4227 40.8595 178.0977 96 E 3.9401 8.8691 120.1128 59.6389 29.3111 179.0363 97 Q 3.9465 8.3800 117.5702 58.9453 28.8483 178.1223 98 E 3.9970 7.5020 115.3940 55.5168 29.4464 176.8499 99 G 4.0409 8.0437 107.4990 46.3346 0.0000 176.7445 100 V 4.3450 7.3416 119.5584 65.0987 31.9354 177.4514 101 K 4.1517 8.1973 118.3262 59.5560 31.9327 178.5385 102 S 4.1449 7.9401 111.0969 59.6347 63.2706 173.5474 103 G 3.6621 7.5798 109.6859 45.9418 0.0000 171.2578 *105 Y 4.6224 7.6541 120.8626 58.0397 40.1513 174.0998 106 V 4.8030 8.4156 122.1717 59.8613 34.4299 175.3033 107 V 4.2926 8.4543 122.8289 63.0210 32.3800 174.9702 108 I 4.7923 8.2504 118.9544 59.2696 41.5639 173.1627 109 E 5.1189 8.6902 123.4917 54.7173 31.6604 175.4088 110 V 4.4572 8.7060 118.6767 59.6447 36.5813 174.1123 111 K 4.7789 8.4777 123.3132 54.9580 33.7472 176.0332 112 V 4.2883 8.5020 118.0270 59.2020 35.6703 174.3610 113 A 5.7305 8.3956 122.0870 49.4011 22.3144 176.7132 114 T 4.6336 8.4821 112.3946 61.1203 69.8004 175.4523 115 Q 4.4586 8.6857 120.2070 58.5245 28.7394 177.3231 116 E 4.2443 7.9567 116.4138 55.7120 30.0845 176.0127 117 G 3.7575 8.3101 106.8024 46.8374 0.0000 174.4299 118 K 4.6103 7.4069 117.0542 53.9775 35.6456 177.1325 119 E 4.4973 8.8361 126.4469 56.3829 30.7083 176.1350 120 I 4.4756 8.7925 126.9394 59.9171 41.0276 174.4133 121 T 4.6151 8.4560 124.7448 63.2377 69.1585 174.2000 122 C 5.0159 9.2838 123.3103 58.0543 33.5080 172.9294 123 R 4.6826 9.2689 120.7530 56.2655 31.7561 175.6470 124 S 4.5034 8.2391 117.6141 58.5193 65.8655 171.9994 125 Y 5.4332 8.6804 114.3486 57.5122 41.9875 175.1075 126 L 4.6386 8.9836 122.2810 56.1432 44.9479 176.2370 *128 T 4.3262 8.6991 105.7281 61.0921 70.6607 173.0222 129 N 5.0277 7.9353 120.0558 52.2568 41.2776 172.4670 130 Y 5.3159 8.0162 122.6091 56.2137 41.4562 173.5044 131 E 4.6326 8.7119 118.5000 54.1985 32.7832 175.9089 132 S 5.0111 8.9045 120.1128 59.8424 63.5387 173.8158 133 A 4.8008 9.0399 123.2618 50.1412 23.0209 174.1849 134 P 4.5062 0.0000 0.0000 61.9013 33.2686 173.7752 135 P 5.0984 0.0000 0.0000 61.8131 32.6147 176.2518 136 S 4.9033 8.8859 118.1327 57.7595 63.8478 173.2635 137 P 4.3061 0.0000 0.0000 66.1529 30.9991 179.0556 138 Q 4.1842 8.2758 116.3579 58.9880 28.7536 177.9383 139 Y 3.6313 8.0463 120.8549 60.4981 38.8367 177.8191 140 K 3.7187 8.1603 120.5005 59.0326 31.9320 178.7588 141 K 3.9057 7.7105 119.4839 59.4158 32.2391 178.5750 142 I 3.8286 7.4623 118.6705 64.5495 37.3068 177.8939 143 I 3.7507 7.2705 120.4005 64.6048 36.8747 178.3385 144 C 4.2816 7.9680 115.2681 60.3709 30.9828 175.0847 *146 G 3.8578 8.0364 109.6086 45.2245 0.0000 175.5330 147 A 4.0085 8.4165 122.5347 54.8147 18.3753 179.6949 148 K 4.6297 8.1516 119.4722 59.2894 32.0604 178.1048 149 E 3.8866 8.2143 117.7878 59.6986 29.4968 177.5556 150 N 4.7398 8.1500 113.8540 51.4120 39.8012 175.8717 151 G 3.8479 7.4849 106.4954 46.7038 0.0000 173.3830 152 L 4.3468 8.0395 124.1855 52.8888 43.3827 175.6457 153 P 3.9398 0.0000 0.0000 63.0290 32.8250 177.2942 154 L 3.8660 8.4393 122.5097 58.4090 41.7793 179.4647 155 E 3.9334 7.9348 117.9596 59.4323 29.5738 178.4157 156 Y 4.0688 7.7894 118.9911 60.9415 39.1034 177.7469 157 Q 3.9722 8.2930 119.0352 59.1940 28.5461 178.9700 158 E 3.9648 7.7121 118.1539 59.1491 29.7132 179.3600 159 K 4.0277 7.6186 118.3139 59.5971 32.0841 179.2189 160 L 3.8816 7.5509 119.0335 57.8174 41.2041 180.0467 161 K 3.9038 7.5168 117.0359 59.3361 32.1871 178.6160 162 A 4.3531 7.6165 117.1363 51.5313 18.4012 177.3282 163 I 3.4447 6.7799 119.4303 61.4072 37.3421 175.5489 164 E 3.9673 8.6922 127.3026 55.3015 29.2815 174.5709 165 P 4.6508 0.0000 0.0000 61.5129 33.0765 174.6870 166 N 4.8182 8.1934 116.2817 52.1842 39.2086 174.9578 167 D 4.9410 8.3816 117.8828 53.3340 40.0741 175.5722 168 Y 4.2930 8.5645 121.6523 59.2402 39.0825 176.4096 169 T 4.5495 7.6251 113.8679 60.8246 70.6988 175.7372 170 G 3.5017 5.3852 113.6691 44.7279 0.0000 172.0720 171 K 4.7602 8.3860 120.8314 54.8293 36.1887 174.5305 172 V 4.5787 7.5650 113.0867 58.5609 35.2038 176.2662 173 S 4.2155 8.3256 115.1939 59.1527 64.1819 175.2486 174 E 3.9708 8.6364 122.0306 59.5184 29.2392 179.3501 175 E 3.9617 8.1485 118.1407 59.5268 29.3291 179.2542 176 I 3.7690 7.3474 118.6660 64.6711 37.1622 178.2720 177 E 4.0428 8.1524 119.2154 59.6756 29.0285 179.3751 178 D 4.3635 8.3273 118.4132 57.4244 41.0373 178.6602 179 I 3.8740 7.8684 118.8927 63.6238 37.2484 177.8623 180 I 4.2127 7.3391 120.5438 63.2170 37.3274 178.0078 181 K 4.3396 8.0755 114.2417 57.4041 31.2197 177.6175 182 K 4.4514 8.1432 117.8277 56.2553 32.7816 176.8782 183 G 3.7325 7.7154 113.2252 45.6846 0.0000 172.4965 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 15 E 8.30 4.47 0.00 2.09 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 0.00 2.29 2.39 0.00 16 S 7.85 5.17 0.00 3.80 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 17 F 9.00 5.06 0.00 2.95 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.62 4.74 0.00 1.52 1.38 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 9.21 5.42 0.00 3.31 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 20 F 9.27 4.78 0.00 2.88 2.93 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 21 A 7.79 4.30 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 4.78 0.00 3.04 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 23 G 6.91 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 0.00 0.00 0.00 0.00 24 S 8.64 4.09 0.00 4.00 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 25 N 8.02 4.67 0.00 2.83 2.89 0.00 0.00 7.18 6.74 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 26 L 7.80 4.23 0.00 1.68 1.81 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.86 4.58 0.00 1.85 1.70 1.06 0.61 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 28 T 10.09 4.20 4.33 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 1.36 0.00 0.00 29 E 8.20 4.00 0.00 2.00 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 2.34 2.42 0.00 30 R 7.80 4.04 0.00 2.04 2.09 0.00 3.39 0.00 0.00 3.48 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 31 I 7.72 3.96 1.32 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.85 -0.22 0.00 0.00 32 H 7.73 4.61 0.00 3.33 3.30 0.00 5.73 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 33 L 7.69 4.10 0.00 1.70 1.72 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.79 4.38 0.00 1.80 1.92 0.00 3.27 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 35 N 7.67 5.02 0.00 2.74 2.61 0.00 0.00 6.55 7.39 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 36 P 0.00 4.21 0.00 2.13 2.17 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 37 S 7.91 4.41 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.93 4.03 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 39 A 9.00 5.14 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 40 F 9.31 2.83 0.00 2.65 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 41 F 8.00 4.44 0.00 2.85 2.70 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 0.00 0.00 0.00 0.00 42 C 6.94 4.24 0.00 2.85 2.54 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 43 V 8.28 4.66 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 1.03 0.00 0.00 1.17 0.00 0.00 44 A 9.39 4.94 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 45 R 8.19 3.67 0.00 0.67 0.78 0.00 2.91 0.00 0.00 2.73 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 46 L 8.42 4.35 0.00 1.10 1.51 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.24 4.23 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 5.99 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 48 D 9.39 4.80 0.00 2.85 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 49 F 7.58 5.06 0.00 2.74 2.76 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 50 K 8.80 4.43 0.00 1.45 0.74 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.02 1.24 7.81 51 L 8.47 4.50 0.00 1.67 1.58 0.72 1.34 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 52 D 8.70 4.89 0.00 3.04 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.70 5.27 0.00 3.21 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 54 G 8.40 4.30 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 0.00 55 N 8.68 5.03 0.00 2.68 2.84 0.00 0.00 7.09 7.17 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 56 S 8.64 4.45 0.00 3.72 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 57 Q 10.40 3.60 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 58 G 8.06 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 0.00 0.00 0.00 59 K 8.08 4.49 0.00 1.82 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.59 7.81 60 T 8.32 4.86 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 1.17 0.00 0.00 61 S 8.02 4.04 0.00 3.88 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 62 Q 8.53 4.15 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 63 T 7.55 4.03 3.69 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 0.34 0.00 0.00 64 W 8.24 4.68 0.00 2.97 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 65 H 7.61 3.79 0.00 2.23 2.16 0.00 5.90 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 66 G 7.14 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 0.00 0.00 0.00 67 G 8.98 4.30 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 0.00 68 I 8.27 4.45 1.83 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 1.23 0.70 0.54 0.00 0.00 69 A 9.01 4.06 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 70 T 9.12 5.53 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 0.80 0.00 0.00 71 I 8.21 5.14 1.79 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 -0.09 0.00 0.00 72 F 8.45 5.25 0.00 3.12 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 73 Q 8.64 3.71 0.00 1.79 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 1.23 1.66 0.00 74 S 9.42 4.36 0.00 4.09 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 75 P 0.00 4.53 0.00 2.07 1.98 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 76 G 9.68 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.77 5.20 0.00 2.78 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 78 E 8.49 5.15 0.00 1.77 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 2.30 2.53 0.00 79 V 8.40 4.41 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 0.89 0.00 0.00 0.95 0.00 0.00 80 W 7.45 4.99 0.00 2.25 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 81 G 9.23 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.93 4.37 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 -0.03 0.00 0.00 1.02 0.00 0.00 83 V 8.84 4.52 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 0.77 0.00 0.00 1.12 0.00 0.00 84 W 9.46 5.16 0.00 3.36 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 85 K 9.51 4.70 0.00 1.91 1.75 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.31 7.81 *87 N 8.43 4.91 0.00 3.03 2.81 0.00 0.00 6.95 7.86 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 88 K 8.94 4.45 0.00 1.89 1.92 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.61 1.59 7.81 89 S 8.09 4.47 0.00 4.00 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 90 N 8.47 4.66 0.00 3.23 3.01 0.00 0.00 6.88 6.29 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 91 L 7.65 3.74 0.00 1.53 1.60 0.73 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.08 4.25 0.00 2.72 2.85 0.00 0.00 6.72 7.57 0.00 0.00 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 7.95 4.05 0.00 3.86 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 94 L 8.18 3.69 0.00 1.86 1.66 0.55 0.93 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 95 D 8.50 4.28 0.00 3.04 2.70 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 0.00 0.00 0.00 0.00 96 E 8.87 3.94 0.00 2.06 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 2.29 2.49 0.00 97 Q 8.38 3.95 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 98 E 7.50 4.00 0.00 1.39 1.24 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 1.60 1.47 0.00 99 G 8.04 4.04 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 1.01 0.00 0.00 109 E 8.69 5.12 0.00 1.94 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 2.14 2.26 0.00 110 V 8.71 4.46 1.68 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 0.39 0.00 0.00 0.68 0.00 0.00 111 K 8.48 4.78 0.00 1.51 1.62 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.69 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.37 7.81 112 V 8.50 4.29 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 -0.58 0.00 0.00 0.68 0.00 0.00 113 A 8.40 5.73 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.48 4.63 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 115 Q 8.69 4.46 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.13 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 116 E 7.96 4.24 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 117 G 8.31 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 0.00 118 K 7.41 4.61 0.00 1.69 1.70 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.39 7.81 119 E 8.84 4.50 0.00 1.93 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 2.27 0.00 120 I 8.79 4.48 1.78 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 0.78 0.00 0.00 121 T 8.46 4.62 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 1.16 0.00 0.00 122 C 9.28 5.02 0.00 2.80 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 0.00 123 R 9.27 4.68 0.00 1.82 2.02 0.00 2.65 0.00 0.00 2.82 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.33 0.00 124 S 8.24 4.50 0.00 4.08 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.21 0.96 0.00 0.00 143 I 7.27 3.75 1.62 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.07 0.89 0.00 0.00 144 C 7.97 4.28 0.00 3.00 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 *146 G 8.04 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 0.00 147 A 8.42 4.01 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 0.00 148 K 8.15 4.63 0.00 1.83 1.81 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.29 7.81 149 E 8.21 3.89 0.00 2.01 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 0.00 2.27 2.41 0.00 150 N 8.15 4.74 0.00 2.83 2.99 0.00 0.00 7.33 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 0.00 151 G 7.48 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.04 4.35 0.00 1.70 1.63 1.03 1.60 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 0.00 153 P 0.00 3.94 0.00 1.40 1.37 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.82 0.00 154 L 8.44 3.87 0.00 1.60 1.62 0.90 0.94 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 0.00 155 E 7.93 3.93 0.00 2.07 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 2.40 2.42 0.00 156 Y 7.79 4.07 0.00 2.85 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 0.00 157 Q 8.29 3.97 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.72 0.00 158 E 7.71 3.96 0.00 2.13 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 2.59 2.47 0.00 159 K 7.62 4.03 0.00 1.67 1.69 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.61 7.81 160 L 7.55 3.88 0.00 1.71 1.65 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.52 3.90 0.00 1.97 1.83 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.68 7.81 162 A 7.62 4.35 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 0.00 163 I 6.78 3.44 1.83 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 1.17 0.70 0.62 0.00 0.00 164 E 8.69 3.97 0.00 1.92 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 2.29 2.29 0.00 165 P 0.00 4.65 0.00 2.22 2.01 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 166 N 8.19 4.82 0.00 2.92 2.95 0.00 0.00 6.86 8.07 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 0.00 167 D 8.38 4.94 0.00 2.79 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 0.00 168 Y 8.56 4.29 0.00 3.11 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 T 7.63 4.55 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 1.22 0.00 0.00 170 G 5.39 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.39 4.76 0.00 1.71 1.72 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.38 7.81 172 V 7.56 4.58 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 0.98 0.00 0.00 1.10 0.00 0.00 173 S 8.33 4.22 0.00 3.97 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 0.00 174 E 8.64 3.97 0.00 2.02 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 2.40 2.39 0.00 175 E 8.15 3.96 0.00 1.99 2.01 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 2.40 2.39 0.00 176 I 7.35 3.77 2.02 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.65 1.18 0.00 0.00 177 E 8.15 4.04 0.00 2.17 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 2.52 2.54 0.00 178 D 8.33 4.36 0.00 2.80 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 0.00 179 I 7.87 3.87 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.80 1.02 0.00 0.00 180 I 7.34 4.21 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.94 0.95 0.00 0.00 181 K 8.08 4.34 0.00 1.75 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.66 7.81 182 K 8.14 4.45 0.00 1.75 1.85 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.64 7.81 183 G 7.72 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.