NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 G 3.7433 8.3549 109.7385 45.3015 0.0000 171.3867 26 I 3.0728 8.1184 125.8075 60.3873 35.7891 171.8152 27 I 4.7012 9.0317 128.1161 59.6476 39.8599 175.1427 28 R 4.7849 8.7019 126.7330 54.9749 32.1170 175.7382 29 T 5.5722 8.3004 111.8205 59.4231 72.2062 172.3545 30 C 4.7545 8.2697 115.2458 57.8268 32.6056 172.2284 31 R 4.8239 8.5785 120.3934 55.4719 30.7947 175.6646 32 L 4.6392 8.9528 126.9461 54.4595 42.7763 176.6636 33 G 4.1984 9.5557 112.2249 42.6108 0.0000 172.2422 34 P 4.3172 0.0000 0.0000 64.8716 31.0497 176.6910 35 D 4.7629 7.9929 116.9580 53.6958 40.0832 176.2846 36 Q 4.7010 8.1830 120.3893 55.1342 30.0237 177.9035 37 V 3.6413 8.3054 119.1771 66.3688 31.4723 176.6561 38 K 3.9268 8.1427 117.4097 59.9251 31.9268 179.3016 39 S 4.2535 8.0991 114.6715 61.4349 62.7966 176.1975 40 M 4.0514 8.0623 121.1973 58.7958 31.9416 178.4830 41 R 3.9789 8.4319 118.3495 59.2598 30.1875 178.9648 42 A 3.9341 7.9780 120.3823 54.9595 18.3280 179.5828 43 A 3.5829 8.2985 119.8433 54.8865 18.3579 179.8802 44 L 4.1497 8.1647 117.9880 58.2730 41.7830 179.3874 45 D 4.4205 8.3766 119.1145 57.2085 40.6401 178.7131 46 L 3.7321 7.7335 120.7680 58.1240 42.0761 178.9038 47 F 3.6850 7.7237 117.7786 60.2814 38.7096 177.8331 48 G 3.7040 7.9045 105.0518 47.9110 0.0000 175.9256 49 R 3.8977 7.7762 120.8944 59.0527 29.9711 179.2080 50 E 4.0483 7.9826 116.4659 58.4755 29.4895 178.3611 51 F 5.0511 7.9456 115.8192 56.3196 39.9455 175.4418 52 G 3.9230 8.4272 106.1062 46.0788 0.0000 175.0877 53 D 4.8460 8.4718 115.4792 52.0070 43.4765 175.2613 54 V 3.7909 8.0831 123.3903 65.7769 32.0561 176.7002 55 A 4.0218 8.0684 119.9076 55.6933 18.0957 179.5912 56 T 3.8408 8.0795 112.4162 66.3105 68.6574 175.3628 57 Y 4.5240 7.7482 114.7715 58.0573 38.8695 176.1852 58 S 4.6664 8.3716 112.5015 58.3313 64.5543 174.5335 59 Q 4.3224 8.1719 117.2630 56.9405 29.0514 175.2948 60 H 4.9884 7.6552 114.9070 55.1995 29.9620 173.7051 61 Q 4.1407 8.0448 117.1227 55.0580 29.4269 175.0422 62 P 4.1463 0.0000 0.0000 61.9961 32.1190 176.4837 63 D 4.6672 8.1740 120.5950 53.1408 41.6333 177.4740 64 S 4.2157 8.5240 115.0179 61.4375 62.6505 176.4132 65 D 4.3296 8.1669 120.5942 57.4822 40.9752 177.5547 66 Y 3.9739 8.9527 120.2994 60.7620 38.8318 177.8922 67 L 4.2320 8.3238 120.1517 57.6162 41.7413 179.5495 68 G 3.7248 8.5515 106.1476 48.1335 0.0000 175.4341 69 N 4.3235 8.0334 118.0290 55.6038 38.9503 176.9899 70 L 3.9402 8.0292 121.9761 58.2437 41.9938 179.1690 71 L 4.3032 8.2396 117.8527 57.2202 41.5991 178.9641 72 R 4.2451 7.7029 114.9340 56.8084 30.0874 177.1229 73 S 4.4073 7.1122 113.8964 58.2356 63.6898 174.3445 74 K 4.3163 8.5264 120.0886 57.6192 32.6069 177.4048 75 T 4.6191 7.8600 108.8321 61.3961 70.0771 173.7155 76 F 5.2482 8.0826 123.4723 56.7714 42.8126 173.8857 77 I 4.3824 7.7585 125.3715 59.2609 41.0495 173.9698 78 A 5.0096 8.3574 128.0682 50.0089 21.8418 174.4646 79 L 5.2554 9.2916 122.8550 52.9670 45.2017 175.7058 80 A 5.0496 8.9503 123.1269 50.0504 23.0286 174.5347 81 A 5.1803 8.9220 122.8517 50.1744 21.8849 175.7089 82 F 5.2462 9.9668 121.8210 55.7602 42.8587 174.6246 83 D 4.5690 8.7174 120.6081 52.8697 44.1570 175.3660 84 Q 3.2938 9.5561 126.2541 57.3190 26.2154 174.0567 85 E 3.8554 8.7060 111.9413 56.9883 27.2492 174.0592 86 A 4.7732 7.6582 121.7277 49.8200 21.2853 176.9256 87 V 3.4043 8.2644 122.1779 63.2097 31.8696 175.9089 88 V 4.2393 8.6488 119.4049 60.7240 33.7396 175.3902 89 G 4.3599 7.3930 106.1978 45.2361 0.0000 172.4076 90 A 5.2020 8.6425 124.2837 50.2232 23.3471 174.9802 91 L 5.3382 9.4022 122.0843 53.5883 45.9423 174.6522 92 A 5.1359 9.5650 128.2391 50.1566 21.6568 174.8340 93 A 5.1883 8.7471 123.7424 50.5278 23.3274 174.3093 94 Y 5.1758 9.1088 116.9701 56.2499 41.4251 174.9888 95 V 4.8061 8.7443 122.9778 61.3380 33.6318 174.8734 96 L 4.6385 9.2427 128.9307 52.5981 43.1876 174.2773 97 P 4.6272 0.0000 0.0000 62.0472 31.5275 176.7174 98 K 4.1993 9.0514 127.5277 56.5689 32.4211 176.4891 99 F 4.7507 7.8378 118.7983 58.1020 39.2023 177.1185 100 E 4.1854 7.1580 118.1292 58.3804 29.9291 176.5647 101 Q 4.5600 7.3224 116.0654 53.5876 33.1393 173.4962 102 P 4.6455 0.0000 0.0000 62.0504 29.5321 174.6540 103 R 4.9781 7.4281 120.1799 55.4569 34.1964 175.0497 104 S 5.3665 8.7815 112.3815 56.7183 66.9804 172.5477 105 E 4.8885 8.8960 119.9306 54.7095 33.0878 174.7899 106 I 5.0131 8.5068 124.3095 59.8904 39.9484 174.1687 107 Y 4.9898 9.2156 124.6635 56.0975 40.4734 175.0693 108 I 4.2429 9.2324 127.0368 61.6903 37.6131 176.2205 109 Y 4.2819 9.4129 129.9222 60.0241 39.0261 174.9689 110 D 5.1592 8.3069 118.1329 52.3304 44.6963 174.3295 111 L 5.4147 8.7255 123.5601 53.7962 45.2564 174.8408 112 A 4.7867 9.1438 126.4040 50.8489 23.0414 174.8925 113 V 4.7303 8.1566 120.0325 60.4719 34.6201 175.1508 114 S 4.0955 9.0080 121.6633 58.9340 62.5500 175.7934 115 G 3.6070 8.5786 114.8577 48.4104 0.0000 174.0413 116 E 4.3901 8.1044 116.6367 56.9904 29.8065 175.9829 117 H 4.9159 8.1345 116.1169 55.3772 29.5441 174.1527 118 R 4.1037 7.9756 118.0769 57.1780 30.5338 176.6684 119 R 3.8547 8.4784 117.0077 57.9201 27.4307 176.9953 120 Q 4.4054 7.7062 111.2499 55.5090 29.8861 176.8711 121 G 3.9435 8.1651 106.6143 46.1792 0.0000 175.7251 122 I 3.6685 7.8053 121.6591 64.0186 37.0881 177.9375 123 A 3.9528 7.9278 121.0095 55.7307 18.3357 179.3873 124 T 3.6842 8.0773 113.3972 67.0291 68.4589 176.3966 125 A 4.0428 8.0629 122.4206 54.9779 18.3945 179.7189 126 L 3.9724 8.3277 118.0279 57.9788 41.6642 179.7927 127 I 3.7190 8.5501 120.3576 64.4563 37.0464 178.2832 128 N 4.3487 8.2644 117.4199 56.1379 38.2727 177.2652 129 L 3.9771 8.0582 121.8992 57.8782 42.1708 178.7567 130 L 3.9274 8.0677 120.5410 58.1438 41.9596 179.0703 131 K 4.0525 8.2359 118.4667 59.5726 31.9245 178.8452 132 H 4.1068 8.0139 118.0037 59.4208 29.7661 177.1445 133 E 3.9672 8.4305 120.2894 59.2679 29.1707 179.3052 134 A 3.9394 8.5116 121.0384 55.2305 18.3020 179.0337 135 N 4.1707 8.1865 114.1857 56.9811 39.0965 176.6779 136 A 4.0866 7.9638 120.3626 54.1397 18.5091 178.3684 137 L 4.3282 7.5546 117.3086 55.1801 42.6794 177.4006 138 G 3.9197 8.4323 106.6503 44.7332 0.0000 173.6081 139 A 4.4029 8.0639 121.5124 52.4240 18.4512 177.0042 140 Y 4.5352 8.3882 120.1319 57.6220 39.0958 175.7283 141 V 4.2577 6.4662 118.9370 60.6666 34.8753 172.6517 142 I 4.8828 7.7944 121.6803 59.8194 41.0902 173.9851 143 Y 4.9742 9.1452 123.6011 56.0904 41.6337 174.7576 144 V 4.7984 8.8609 121.2759 60.8419 35.1212 174.4846 145 Q 3.6316 8.3365 127.9238 55.4912 29.3557 175.4638 146 A 3.8765 9.1436 129.9596 52.6093 18.9915 176.5551 147 D 4.6301 8.5116 122.8328 52.2466 39.6152 175.4821 148 Y 4.4661 7.9983 120.6144 56.6358 38.9304 175.5885 149 G 3.9393 6.5659 109.5257 45.2929 0.0000 176.7220 150 D 4.2223 7.5119 121.8532 56.1555 41.8136 175.1398 151 D 4.4238 7.8096 121.0426 53.3341 39.6630 175.1164 152 P 4.2527 0.0000 0.0000 63.8415 32.0992 177.2881 153 A 4.5686 7.6919 121.1233 50.7151 19.3493 177.3291 154 V 4.1759 7.3859 118.2835 61.9566 31.9819 173.6479 155 A 4.2546 8.2419 127.9848 50.8272 19.3868 176.5177 156 L 4.9804 7.9041 123.7182 53.4133 45.8377 174.6570 157 Y 4.9854 8.7069 121.1341 56.6462 41.9284 174.7337 158 T 4.8998 8.9340 119.0306 61.2735 72.5794 173.4618 159 K 3.5943 8.6825 128.6021 56.7687 33.1222 177.3797 *160 L 4.0490 8.3814 126.1691 54.5355 41.5648 175.1888 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 25 G 8.35 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 26 I 8.12 3.07 1.88 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 1.42 0.56 0.92 0.00 0.00 27 I 9.03 4.70 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 0.97 0.00 0.00 28 R 8.70 4.78 0.00 1.85 1.84 0.00 3.01 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 29 T 8.30 5.57 4.27 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 1.23 0.00 0.00 30 C 8.27 4.75 0.00 2.99 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 31 R 8.58 4.82 0.00 1.84 1.87 0.00 3.23 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 32 L 8.95 4.64 0.00 1.61 1.66 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.56 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 0.00 0.00 0.00 0.00 34 P 0.00 4.32 0.00 2.21 2.35 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 35 D 7.99 4.76 0.00 2.81 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 36 Q 8.18 4.70 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 37 V 8.31 3.64 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 1.19 0.00 0.00 1.04 0.00 0.00 38 K 8.14 3.93 0.00 1.87 1.89 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.57 7.81 39 S 8.10 4.25 0.00 4.13 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 40 M 8.06 4.05 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.75 0.00 41 R 8.43 3.98 0.00 2.07 1.98 0.00 3.20 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 42 A 7.98 3.93 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 43 A 8.30 3.58 1.09 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 44 L 8.16 4.15 0.00 1.96 2.12 1.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.38 4.42 0.00 2.76 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 46 L 7.73 3.73 0.00 1.59 1.44 0.74 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.72 3.69 0.00 2.92 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 48 G 7.90 3.70 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 0.00 0.00 0.00 49 R 7.78 3.90 0.00 1.92 1.95 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 50 E 7.98 4.05 0.00 1.55 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 2.34 2.46 0.00 51 F 7.95 5.05 0.00 3.00 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 52 G 8.43 3.92 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 0.00 0.00 0.00 53 D 8.47 4.85 0.00 2.86 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 54 V 8.08 3.79 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 1.03 0.00 0.00 0.97 0.00 0.00 55 A 8.07 4.02 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 56 T 8.08 3.84 4.47 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 0.91 0.00 0.00 57 Y 7.75 4.52 0.00 3.10 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 58 S 8.37 4.67 0.00 3.91 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 59 Q 8.17 4.32 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.20 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 60 H 7.66 4.99 0.00 3.04 3.17 0.00 5.70 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.04 4.14 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.34 7.04 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 62 P 0.00 4.15 0.00 1.80 0.66 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 63 D 8.17 4.67 0.00 2.96 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 64 S 8.52 4.22 0.00 3.91 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 65 D 8.17 4.33 0.00 2.82 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 66 Y 8.95 3.97 0.00 3.06 3.03 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 67 L 8.32 4.23 0.00 2.03 1.78 1.03 0.80 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 68 G 8.55 3.72 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 0.00 0.00 0.00 69 N 8.03 4.32 0.00 2.69 2.79 0.00 0.00 7.07 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 70 L 8.03 3.94 0.00 1.55 1.70 0.53 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.24 4.30 0.00 1.86 1.73 1.06 1.12 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 72 R 7.70 4.25 0.00 2.01 2.14 0.00 3.06 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.60 0.00 73 S 7.11 4.41 0.00 4.10 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 74 K 8.53 4.32 0.00 1.81 1.93 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.44 7.81 75 T 7.86 4.62 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 1.29 0.00 0.00 76 F 8.08 5.25 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.76 4.38 1.63 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 1.07 0.37 0.80 0.00 0.00 78 A 8.36 5.01 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 79 L 9.29 5.26 0.00 1.57 1.53 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.95 5.05 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 5.18 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 82 F 9.97 5.25 0.00 2.84 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.72 4.57 0.00 2.72 2.44 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 84 Q 9.56 3.29 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.41 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 85 E 8.71 3.86 0.00 2.15 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 0.00 2.15 2.28 0.00 86 A 7.66 4.77 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 0.00 0.00 0.00 0.00 0.00 87 V 8.26 3.40 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 0.42 0.00 0.00 0.58 0.00 0.00 88 V 8.65 4.24 1.72 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 0.34 0.00 0.00 0.85 0.00 0.00 89 G 7.39 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 5.20 0.55 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 0.00 0.00 0.00 0.00 0.00 91 L 9.40 5.34 0.00 1.69 1.50 0.95 1.09 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 92 A 9.56 5.14 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.75 5.19 1.19 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 0.00 0.00 0.00 94 Y 9.11 5.18 0.00 3.05 2.97 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 95 V 8.74 4.81 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 96 L 9.24 4.64 0.00 1.71 1.66 0.59 0.84 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 97 P 0.00 4.63 0.00 2.00 2.08 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 98 K 9.05 4.20 0.00 1.91 1.92 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.44 0.97 7.81 99 F 7.84 4.75 0.00 3.21 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 0.00 100 E 7.16 4.19 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 2.12 2.12 0.00 101 Q 7.32 4.56 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.61 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 102 P 0.00 4.65 0.00 2.18 2.09 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 103 R 7.43 4.98 0.00 1.90 1.94 0.00 2.21 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 104 S 8.78 5.37 0.00 3.94 4.02 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 0.00 105 E 8.90 4.89 0.00 2.19 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 0.00 2.10 2.44 0.00 106 I 8.51 5.01 1.83 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 1.20 1.13 1.00 0.00 0.00 107 Y 9.22 4.99 0.00 2.96 2.84 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 0.00 108 I 9.23 4.24 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.32 1.02 0.00 0.00 109 Y 9.41 4.28 0.00 3.43 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 0.00 110 D 8.31 5.16 0.00 2.21 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 0.00 111 L 8.73 5.41 0.00 1.71 1.60 0.96 1.04 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 0.00 112 A 9.14 4.79 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.16 4.73 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 0.83 0.00 0.00 0.92 0.00 0.00 114 S 9.01 4.10 0.00 3.82 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 0.00 115 G 8.58 3.61 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 0.00 0.00 0.00 116 E 8.10 4.39 0.00 1.96 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 2.26 2.32 0.00 117 H 8.13 4.92 0.00 3.01 3.24 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.98 4.10 0.00 1.84 1.84 0.00 3.45 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.60 0.00 119 R 8.48 3.85 0.00 1.95 2.01 0.00 3.33 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 120 Q 7.71 4.41 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.98 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 121 G 8.17 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 0.00 122 I 7.81 3.67 1.86 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 1.56 0.53 0.87 0.00 0.00 123 A 7.93 3.95 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 0.00 124 T 8.08 3.68 4.40 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 1.20 0.00 0.00 125 A 8.06 4.04 1.41 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 0.00 0.00 0.00 126 L 8.33 3.97 0.00 1.83 1.73 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 127 I 8.55 3.72 2.00 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 1.53 0.75 0.90 0.00 0.00 128 N 8.26 4.35 0.00 2.87 2.85 0.00 0.00 6.66 6.33 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 0.00 129 L 8.06 3.98 0.00 1.76 1.84 0.92 0.32 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 0.00 130 L 8.07 3.93 0.00 1.87 1.86 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.24 4.05 0.00 2.02 1.85 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.65 7.81 132 H 8.01 4.11 0.00 3.41 3.42 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.43 3.97 0.00 2.16 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 2.56 2.47 0.00 134 A 8.51 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.19 4.17 0.00 2.77 2.97 0.00 0.00 7.29 8.18 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 0.00 136 A 7.96 4.09 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 0.00 137 L 7.55 4.33 0.00 1.81 1.88 0.94 1.56 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 0.00 138 G 8.43 3.92 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 0.00 0.00 0.00 139 A 8.06 4.40 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 0.00 140 Y 8.39 4.54 0.00 3.10 3.08 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 0.00 141 V 6.47 4.26 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 -0.15 0.00 0.00 0.36 0.00 0.00 142 I 7.79 4.88 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.56 0.85 0.00 0.00 143 Y 9.15 4.97 0.00 2.31 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 0.00 144 V 8.86 4.80 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 1.02 0.00 0.00 0.93 0.00 0.00 145 Q 8.34 3.63 0.00 2.03 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.55 0.00 0.00 0.00 0.00 0.00 1.83 1.18 0.00 146 A 9.14 3.88 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 0.00 147 D 8.51 4.63 0.00 2.67 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 0.00 148 Y 8.00 4.47 0.00 2.78 2.86 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 0.00 149 G 6.57 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 0.00 150 D 7.51 4.22 0.00 2.70 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 0.00 151 D 7.81 4.42 0.00 2.60 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 0.00 152 P 0.00 4.25 0.00 2.17 2.08 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 153 A 7.69 4.57 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 0.00 154 V 7.39 4.18 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 0.93 0.00 0.00 155 A 8.24 4.25 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 0.00 156 L 7.90 4.98 0.00 1.71 1.37 0.98 0.91 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 0.00 157 Y 8.71 4.99 0.00 2.92 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 0.00 158 T 8.93 4.90 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 1.21 0.00 0.00 159 K 8.68 3.59 0.00 1.31 1.52 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.15 0.88 7.81 *160 L 8.38 4.05 0.00 1.30 1.48 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.