NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4009 8.3044 118.1929 54.9601 32.5733 174.1570 2 E 4.3484 8.5491 122.0464 53.9581 30.6123 173.7890 3 T 4.9165 8.6938 116.1105 60.0635 72.7518 171.9469 4 Y 4.8409 9.1154 122.9670 55.0142 42.2769 172.3792 5 P 4.8780 0.0000 0.0000 62.3384 32.3398 175.3353 6 I 4.7340 8.8315 118.6050 59.2467 40.5238 174.6608 7 T 5.3919 8.6491 120.1080 62.1137 72.5078 173.6974 8 V 4.3338 8.9938 124.5070 62.5520 34.7797 175.1799 9 G 4.1016 9.8205 116.5953 46.7676 0.0000 174.1079 10 G 3.8899 8.3888 104.2745 45.2519 0.0000 173.6571 11 V 4.3519 7.8734 120.6010 61.2545 32.9463 174.2108 12 T 5.2031 8.4074 123.4394 61.8910 70.8424 173.9205 13 R 4.3566 8.6375 124.0044 54.6033 34.4315 174.3883 14 H 5.0734 8.6791 120.1633 54.8179 29.3889 174.7440 15 V 4.3993 8.3295 117.2040 58.6889 34.6843 174.1954 16 P 4.7684 0.0000 0.0000 62.7297 32.8208 175.0358 17 L 5.2719 8.3450 120.5156 53.0473 44.2239 176.0940 18 I 4.5223 8.5655 115.3651 59.1865 41.3942 173.9900 19 E 5.2491 8.3619 123.7847 52.6370 28.7046 173.3304 20 P 4.4164 0.0000 0.0000 64.1005 32.1975 177.0930 21 L 4.8047 7.4887 116.6938 51.4499 45.0951 173.9375 22 P 4.4032 0.0000 0.0000 64.7714 31.0920 176.7480 23 G 3.8157 9.9678 111.0331 45.4503 0.0000 173.2723 24 R 4.6058 8.2770 119.5330 54.5201 32.5315 174.4870 25 R 5.0639 8.5977 123.9057 54.1824 32.8126 175.7052 26 I 4.7364 8.2464 115.8679 58.0790 41.2547 173.1120 27 P 4.6467 0.0000 0.0000 62.6978 32.1175 175.5805 28 L 4.4940 8.8979 126.8457 53.4793 42.7385 176.5381 29 V 3.6389 8.1859 126.6866 61.2101 32.3124 175.8016 30 E 4.3394 8.0857 123.9522 55.2983 30.8563 174.1890 31 F 4.7388 8.6322 126.2045 59.1185 39.8532 176.6723 32 L 4.2314 8.0302 120.4333 56.6335 41.5812 177.4658 33 G 4.0092 9.4592 111.5321 45.4366 0.0000 173.1750 34 D 4.7992 8.0890 119.2235 50.4359 41.6229 173.7033 35 P 4.2879 0.0000 0.0000 65.1524 31.6295 177.2481 36 E 3.9607 8.2427 117.3554 59.4339 29.6218 178.5227 37 F 4.5664 8.7976 120.6186 61.6530 39.4093 177.2289 38 T 3.5714 8.3898 115.6141 66.6091 68.1970 176.6692 39 R 3.8040 8.2729 120.5260 59.1559 30.2085 178.2745 40 A 3.9385 8.0263 120.5133 55.0867 18.4551 179.5508 41 A 3.6284 7.7382 118.9317 55.0439 18.4303 179.6365 42 A 3.7331 7.9536 119.6877 55.4542 18.2151 179.8062 43 E 3.8854 8.2395 115.9430 59.3100 29.5262 179.1706 44 A 4.0575 7.4781 119.8824 54.7762 18.5903 179.1971 45 L 4.0594 7.6566 117.2224 57.0777 41.7861 179.3045 46 R 3.8552 7.7100 118.4488 59.2112 29.8775 177.0137 47 P 4.2792 0.0000 0.0000 65.1346 31.3586 177.6524 48 L 4.4109 7.7197 115.6080 53.9539 41.9985 176.6893 49 V 3.8669 7.2630 120.3277 61.0739 32.1315 174.0162 50 P 4.3936 0.0000 0.0000 62.6618 31.7617 177.6754 51 K 4.0934 8.5362 120.5597 59.0260 32.1701 178.2197 52 E 4.0898 8.1010 115.1025 57.3741 30.1987 176.8287 53 A 3.9707 7.3045 122.4379 53.2629 18.7109 176.7485 54 E 4.6618 8.7055 120.7100 57.0680 32.4716 176.4346 55 I 4.6837 7.4776 117.2992 59.8322 41.5901 173.5652 56 L 5.2164 8.7355 127.9886 53.5847 44.3844 175.4552 57 F 5.4978 9.0506 123.3261 57.2855 42.7796 173.3952 58 T 5.3362 9.5700 119.8851 59.4177 71.6622 171.8477 59 T 5.2698 8.2336 112.4533 59.2244 71.1958 173.8923 60 E 4.2039 9.0155 122.7531 57.5700 30.0879 176.4133 61 T 4.4919 8.5645 115.6504 65.2988 70.7237 176.7873 62 S 4.1780 8.3453 114.1205 61.1109 62.8240 173.4851 63 P 4.5750 0.0000 0.0000 63.3017 31.8456 178.0463 64 I 3.7335 8.2559 121.2951 63.9009 36.9663 176.3496 65 P 4.2195 0.0000 0.0000 65.6538 31.0426 177.8457 66 L 3.6346 7.8066 119.5790 58.3867 41.9490 179.1265 67 T 3.6833 7.8468 115.4939 66.5200 68.2503 176.3498 68 H 3.1160 8.0971 120.6051 58.9620 29.8966 177.5490 69 V 3.5222 7.9312 120.4078 65.7823 31.4293 177.7678 70 L 3.8192 7.7640 119.9096 57.9133 41.8554 178.7477 71 A 3.9145 8.1478 121.1112 55.2281 18.4948 179.2417 72 E 3.8138 8.2534 117.6792 59.3728 29.4747 178.8258 73 A 4.0163 7.9418 119.8605 54.5413 18.5190 178.6256 74 L 4.4177 7.6122 114.5532 53.9254 42.1859 177.2324 75 G 3.8914 7.6718 106.4860 46.2788 0.0000 173.3672 76 L 4.9419 7.8737 118.5781 51.8994 44.5028 174.7436 77 P 4.9105 0.0000 0.0000 62.5996 33.5037 173.9681 78 Y 5.3551 7.9731 116.8741 55.7782 41.2915 174.2962 79 V 3.3621 8.7502 112.9359 59.1056 36.0441 174.8193 80 V 5.0721 6.8405 120.9346 61.2558 34.1435 174.6758 81 A 4.9075 9.4531 130.1310 51.6348 20.4309 176.6377 82 R 4.9625 9.6706 121.0835 55.0867 32.7963 177.3865 83 R 4.6784 10.1513 119.4371 55.2957 30.5359 176.7272 84 R 4.3604 7.2503 112.1844 54.6289 31.6236 174.5810 85 R 2.8666 7.0818 120.1735 56.0898 30.7279 175.9612 86 R 4.2397 7.9600 124.8242 54.1810 31.3465 173.7263 87 P 4.0353 0.0000 0.0000 64.2745 31.7068 175.8418 88 Y 3.6447 8.0253 117.4888 58.7221 35.3980 169.4932 89 M 4.0258 7.6284 119.7250 55.6730 32.9271 175.7838 90 E 4.0152 9.4750 125.7646 57.9038 30.2037 178.2206 91 D 4.5046 7.6960 124.4494 52.3633 38.4920 173.1150 92 P 4.8305 0.0000 0.0000 62.3484 33.3137 176.9225 93 I 4.1558 8.6737 122.6140 60.8846 38.3541 174.8727 94 I 4.4460 8.1127 127.6477 59.4132 39.4943 175.1544 95 Q 4.4258 8.5860 127.7718 54.4999 32.2431 173.5071 96 E 4.5894 8.8135 125.2455 56.2699 30.7036 176.3665 97 V 4.2869 8.3983 122.7040 61.1852 33.5326 175.3629 98 Q 4.0386 8.4686 126.6511 56.1944 29.5788 176.0191 99 T 4.1042 8.3958 116.1776 61.8584 68.6697 174.2868 *105 G 3.9211 8.1574 111.1520 45.1400 0.0000 174.1138 106 E 4.0300 8.3688 119.7832 57.2874 30.7774 175.8340 107 V 4.7881 8.4831 122.1170 61.1602 35.0277 174.0075 108 L 5.1786 9.0141 127.8253 53.3666 44.1009 175.5082 109 W 5.2404 9.6005 122.1704 54.8229 32.9148 174.0122 110 L 4.9900 8.9719 126.9663 52.9458 43.9387 175.0912 111 D 4.6214 9.0304 126.4415 54.7695 42.0358 177.1229 112 R 3.8885 8.7046 124.3645 59.9428 29.8648 179.3057 113 R 3.9354 8.4300 116.7192 59.0628 30.2354 178.8680 114 F 4.6748 7.8082 116.9768 60.5215 39.1934 177.4183 115 A 3.9712 8.2594 120.4834 55.4253 17.9340 179.5418 116 E 3.9760 8.2705 116.9564 59.3581 29.3133 179.2526 117 K 4.1784 7.9810 116.7840 58.0188 32.4293 178.1246 118 L 4.4657 7.6654 118.9259 53.6627 41.9652 175.9510 119 L 4.3347 7.1163 121.8867 56.4391 42.1352 176.0959 120 N 4.3076 9.2296 122.3245 54.1719 37.1024 173.7848 121 Q 4.8499 7.8498 117.1861 54.4189 31.9311 175.3726 122 R 4.2960 9.0193 121.9269 55.3745 31.1410 175.6275 123 V 4.7264 8.6105 125.4125 61.4133 33.9799 174.6615 124 V 4.8328 8.4420 126.8106 61.0931 33.9480 174.4441 125 L 4.8754 8.8467 128.6947 54.3759 43.2816 176.1466 126 V 4.9184 8.6475 122.1664 61.5069 35.3690 173.9953 127 S 4.7425 8.7643 120.4746 57.1647 66.1180 174.4061 128 D 4.6173 8.9180 122.6179 55.9424 40.4614 176.3131 129 V 5.2908 7.7541 116.2119 60.8655 35.3780 174.8240 130 V 4.1256 8.8005 123.6368 60.9475 34.2757 173.5289 131 A 5.0316 9.2077 125.4041 52.3861 22.0333 178.4908 132 S 3.9604 8.3299 109.4710 61.2354 64.3801 176.8799 133 G 4.1050 8.3936 107.5525 44.6589 0.0000 175.0773 134 E 3.9666 8.5720 120.7592 59.5693 29.2930 179.2953 135 T 3.8453 7.8356 115.3137 66.9709 68.5723 176.4424 136 M 3.9640 7.9233 120.0455 58.3354 32.0979 178.7740 137 R 3.9261 8.1664 118.0771 59.1371 30.3118 178.9684 138 A 3.9761 8.1460 120.5080 55.3876 18.3855 179.4941 139 M 3.9301 7.9907 117.2798 58.6744 32.0368 178.6846 140 E 3.9994 8.5892 119.6447 59.1968 29.7849 179.0358 141 K 4.0445 7.9007 118.2652 59.6666 32.0775 179.2528 142 M 4.1596 8.0377 118.8754 58.1016 31.8438 178.9833 143 V 3.6005 8.0948 118.5680 66.1871 31.6916 178.1002 144 L 4.2924 7.9706 119.9437 57.4083 41.1940 179.8065 145 R 3.9975 7.8783 116.7776 58.5625 30.1385 177.9371 146 A 4.3595 7.7451 118.3588 52.2577 18.9136 177.9256 147 G 3.8277 8.1277 106.7103 45.0990 0.0000 173.1381 148 G 4.5796 8.1394 107.8450 44.4168 0.0000 171.8183 149 H 5.1431 8.4901 113.1487 53.9067 32.2329 173.0102 150 V 4.3367 8.5069 121.5273 63.1316 31.6866 175.8831 151 V 4.3870 8.5661 120.4303 61.1492 32.8046 175.5627 152 A 4.4326 7.2426 119.7760 51.3010 22.4453 175.4354 153 R 4.9040 8.1829 118.2377 54.4529 33.9139 174.4611 154 L 5.3493 9.2473 123.8108 52.9259 45.6458 175.6195 155 A 5.6629 8.7242 122.8173 49.9328 22.6724 177.1978 156 V 3.3037 8.7329 121.6279 65.6777 32.5800 175.5129 157 F 5.4877 8.5804 119.4044 55.6456 42.0233 174.2082 158 R 5.0411 9.2609 123.1490 54.6237 32.4942 174.2428 159 Q 4.6356 9.2109 128.4010 54.8902 30.6663 174.8152 160 G 3.7817 9.0474 119.7812 47.3427 0.0000 174.3353 *161 T 4.4633 8.2662 117.8513 58.0028 69.8347 169.7438 162 P 5.2103 0.0000 0.0000 61.6327 31.8422 176.5668 163 G 4.0904 8.8442 110.9936 45.0413 0.0000 173.2498 164 L 4.3037 7.3668 118.2891 53.0507 44.7569 174.3543 165 A 4.0367 8.5194 127.6725 52.5624 18.3905 177.3305 166 V 4.5621 7.9771 122.4102 61.8114 34.8137 174.1031 167 D 4.7655 9.1822 129.0345 54.3568 41.8597 175.6558 168 T 5.6802 8.3168 112.0317 59.2600 71.9469 173.5388 169 V 4.1270 8.5707 121.0696 64.1772 32.8319 175.4119 170 A 4.8839 7.5777 119.5763 50.2000 23.3063 174.0466 171 E 5.1801 8.7543 119.5288 54.4004 31.7213 175.5420 172 L 4.4457 8.9921 128.0247 53.7972 42.6178 175.4533 173 P 4.5277 0.0000 0.0000 61.9386 32.6947 175.3596 174 V 4.3257 7.9252 117.0395 61.0643 33.8655 174.9946 175 L 4.2460 9.1730 127.2804 54.8569 41.7522 176.2423 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 1 M 8.30 4.40 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 E 8.55 4.35 0.00 2.09 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 2.30 2.39 0.00 3 T 8.69 4.92 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 4 Y 9.12 4.84 0.00 2.97 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 5 P 0.00 4.88 0.00 1.91 1.90 0.00 2.40 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.64 0.00 6 I 8.83 4.73 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 0.90 0.00 0.00 7 T 8.65 5.39 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 1.35 0.00 0.00 8 V 8.99 4.33 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 0.78 0.00 0.00 1.08 0.00 0.00 9 G 9.82 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 0.00 0.00 0.00 0.00 10 G 8.39 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.87 4.35 2.53 0.00 0.00 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 1.10 0.00 0.00 12 T 8.41 5.20 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 1.02 0.00 0.00 13 R 8.64 4.36 0.00 0.95 1.31 0.00 2.97 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.50 0.00 14 H 8.68 5.07 0.00 2.98 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.33 4.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.99 0.00 0.00 16 P 0.00 4.77 0.00 2.05 1.96 0.00 3.50 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 17 L 8.34 5.27 0.00 1.47 1.50 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.57 4.52 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.89 0.00 0.00 19 E 8.36 5.25 0.00 1.93 1.85 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 2.32 2.24 0.00 20 P 0.00 4.42 0.00 2.06 2.08 0.00 3.83 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 1.99 2.08 0.00 21 L 7.49 4.80 0.00 1.63 1.49 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.40 0.00 2.16 2.09 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 23 G 9.97 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 0.00 0.00 0.00 24 R 8.28 4.61 0.00 1.80 1.82 0.00 3.23 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 25 R 8.60 5.06 0.00 1.69 1.74 0.00 3.03 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 1.51 1.50 0.00 26 I 8.25 4.74 1.77 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 0.72 0.84 0.00 0.00 27 P 0.00 4.65 0.00 1.82 2.04 0.00 3.49 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 28 L 8.90 4.49 0.00 1.54 1.62 0.89 1.19 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 29 V 8.19 3.64 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.62 0.00 0.00 30 E 8.09 4.34 0.00 1.83 1.80 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 2.19 2.51 0.00 31 F 8.63 4.74 0.00 3.20 3.06 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 32 L 8.03 4.23 0.00 1.86 1.70 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.46 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 34 D 8.09 4.80 0.00 2.76 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 35 P 0.00 4.29 0.00 2.23 2.13 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 36 E 8.24 3.96 0.00 2.09 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 2.49 2.43 0.00 37 F 8.80 4.57 0.00 3.38 3.25 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 38 T 8.39 3.57 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 39 R 8.27 3.80 0.00 1.85 1.91 0.00 3.10 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 40 A 8.03 3.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 3.63 0.70 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 42 A 7.95 3.73 1.22 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 0.00 0.00 0.00 43 E 8.24 3.89 0.00 2.08 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 2.39 2.43 0.00 44 A 7.48 4.06 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 45 L 7.66 4.06 0.00 1.78 1.61 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.71 3.86 0.00 1.96 1.97 0.00 3.17 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 47 P 0.00 4.28 0.00 1.98 2.10 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 48 L 7.72 4.41 0.00 1.67 1.67 0.86 1.09 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 49 V 7.26 3.87 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 0.74 0.00 0.00 0.88 0.00 0.00 50 P 0.00 4.39 0.00 2.20 1.96 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 51 K 8.54 4.09 0.00 1.72 1.87 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 52 E 8.10 4.09 0.00 2.08 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 2.27 2.30 0.00 53 A 7.30 3.97 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 54 E 8.71 4.66 0.00 1.94 1.96 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 2.22 2.41 0.00 55 I 7.48 4.68 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.89 0.00 0.00 56 L 8.74 5.22 0.00 1.75 1.59 0.85 0.62 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 57 F 9.05 5.50 0.00 2.97 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 58 T 9.57 5.34 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 1.33 0.00 0.00 59 T 8.23 5.27 4.28 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 1.12 0.00 0.00 60 E 9.02 4.20 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 61 T 8.56 4.49 4.29 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 1.26 0.00 0.00 62 S 8.35 4.18 0.00 4.08 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 63 P 0.00 4.57 0.00 2.23 2.14 0.00 3.77 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 2.23 2.53 0.00 64 I 8.26 3.73 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.80 1.03 0.00 0.00 65 P 0.00 4.22 0.00 2.27 2.32 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 66 L 7.81 3.63 0.00 1.35 1.74 0.41 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.85 3.68 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 1.03 0.00 0.00 68 H 8.10 3.12 0.00 3.05 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.93 3.52 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.94 0.00 0.00 70 L 7.76 3.82 0.00 1.73 1.68 0.89 1.26 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 71 A 8.15 3.91 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 72 E 8.25 3.81 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 73 A 7.94 4.02 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 74 L 7.61 4.42 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 83 R 10.15 4.68 0.00 1.86 2.03 0.00 3.21 0.00 0.00 3.29 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 84 R 7.25 4.36 0.00 1.71 1.81 0.00 2.92 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 85 R 7.08 2.87 0.00 0.67 1.04 0.00 2.95 0.00 0.00 2.88 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.13 0.00 86 R 7.96 4.24 0.00 1.81 1.69 0.00 3.25 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 87 P 0.00 4.04 0.00 1.91 1.43 0.00 3.77 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 88 Y 8.03 3.64 0.00 3.15 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 89 M 7.63 4.03 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 90 E 9.48 4.02 0.00 2.42 1.86 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *105 G 8.16 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 0.00 106 E 8.37 4.03 0.00 1.92 1.97 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 2.44 2.32 0.00 107 V 8.48 4.79 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 0.76 0.00 0.00 1.04 0.00 0.00 108 L 9.01 5.18 0.00 1.63 1.66 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 109 W 9.60 5.24 0.00 3.23 3.18 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 0.00 110 L 8.97 4.99 0.00 1.89 1.59 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 111 D 9.03 4.62 0.00 2.67 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 0.00 0.00 0.00 0.00 112 R 8.70 3.89 0.00 2.30 2.02 0.00 3.20 0.00 0.00 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0.00 0.00 129 V 7.75 5.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.12 0.00 0.00 130 V 8.80 4.13 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 0.92 0.00 0.00 0.93 0.00 0.00 131 A 9.21 5.03 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.33 3.96 0.00 4.01 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 0.00 133 G 8.39 4.11 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 0.00 0.00 0.00 134 E 8.57 3.97 0.00 2.00 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 2.33 2.49 0.00 135 T 7.84 3.85 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 0.00 136 M 7.92 3.96 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 137 R 8.17 3.93 0.00 2.04 1.97 0.00 3.41 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 138 A 8.15 3.98 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 0.00 139 M 7.99 3.93 0.00 1.41 2.03 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.05 0.00 140 E 8.59 4.00 0.00 1.99 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 2.33 2.39 0.00 141 K 7.90 4.04 0.00 2.11 1.85 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.71 7.81 142 M 8.04 4.16 0.00 2.24 2.54 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.60 0.00 143 V 8.09 3.60 2.36 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 1.07 0.00 0.00 1.23 0.00 0.00 144 L 7.97 4.29 0.00 1.91 1.73 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.88 4.00 0.00 1.98 1.99 0.00 3.15 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 146 A 7.75 4.36 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 0.00 147 G 8.13 3.83 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 0.00 0.00 0.00 148 G 8.14 4.58 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 0.00 149 H 8.49 5.14 0.00 3.28 3.36 0.00 5.46 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 0.00 150 V 8.51 4.34 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 0.89 0.00 0.00 0.98 0.00 0.00 151 V 8.57 4.39 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 0.65 0.00 0.00 0.96 0.00 0.00 152 A 7.24 4.43 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 8.18 4.90 0.00 1.71 1.78 0.00 3.25 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 154 L 9.25 5.35 0.00 1.44 1.45 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.72 5.66 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.73 3.30 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 0.32 0.00 0.00 0.67 0.00 0.00 157 F 8.58 5.49 0.00 3.06 2.91 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 0.00 158 R 9.26 5.04 0.00 1.86 1.82 0.00 3.07 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 159 Q 9.21 4.64 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.34 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 160 G 9.05 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 *161 T 8.27 4.46 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 5.21 0.00 2.16 2.02 0.00 3.69 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 163 G 8.84 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 0.00 164 L 7.37 4.30 0.00 1.55 1.49 0.92 1.06 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 0.00 165 A 8.52 4.04 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 0.00 166 V 7.98 4.56 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 0.87 0.00 0.00 0.99 0.00 0.00 167 D 9.18 4.77 0.00 2.61 2.55 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 0.00 168 T 8.32 5.68 4.23 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 0.00 0.00 0.00 1.22 0.00 0.00 169 V 8.57 4.13 1.96 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 0.65 0.00 0.00 0.79 0.00 0.00 170 A 7.58 4.88 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 0.00 171 E 8.75 5.18 0.00 2.02 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 2.22 2.47 0.00 172 L 8.99 4.45 0.00 1.52 1.49 0.79 0.38 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 0.00 173 P 0.00 4.53 0.00 2.00 2.09 0.00 3.64 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 1.56 1.93 0.00 174 V 7.93 4.33 2.03 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 0.81 0.00 0.00 0.89 0.00 0.00 175 L 9.17 4.25 0.00 1.52 1.40 0.31 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.