NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.9230 8.3129 109.7354 45.8387 0.0000 177.3754 6 T 4.0033 8.6486 117.8810 65.3729 68.1138 172.2491 7 E 4.2067 8.2695 119.7622 61.3904 30.3815 180.2651 8 H 4.6419 8.2356 117.9084 59.4346 30.3753 176.6775 9 D 4.5902 7.9803 118.9887 56.9155 40.5600 178.2837 10 A 4.1121 7.6313 118.5199 52.8607 17.9867 178.9196 *12 R 3.8469 7.9417 122.1510 57.5600 32.0580 177.6632 13 A 4.0884 7.9674 121.5913 55.6657 18.2453 180.5100 14 R 3.8879 8.0189 119.2929 61.5608 29.4038 181.6880 15 L 4.1932 7.7461 119.5768 57.5893 41.6319 179.6277 16 V 3.5606 8.1513 118.3557 66.0284 31.4407 177.8452 17 D 4.3207 8.1779 118.6648 57.2728 40.6886 178.9274 18 V 3.5171 7.8597 118.4322 66.0186 31.5492 177.8865 19 A 3.9733 8.1929 120.7446 55.0996 18.1097 179.3202 20 Q 4.0145 8.5131 118.1972 59.3554 29.3027 178.3488 21 A 4.0315 7.9917 121.7185 55.2965 18.3908 179.6596 22 I 3.6535 7.8218 118.1887 64.5406 37.1925 178.7677 23 V 3.6517 7.9850 119.0829 66.1979 31.1163 177.8698 24 E 4.1268 8.2887 117.2124 59.4554 29.3443 178.9913 25 E 4.2240 7.9922 117.4430 58.7080 29.7843 177.9181 26 R 4.4143 7.7833 112.8189 54.5441 32.5004 176.1285 27 G 3.9609 8.6325 108.0433 44.2714 0.0000 174.9727 28 G 3.6568 8.5148 106.5957 48.3634 0.0000 175.5229 29 A 3.8643 8.1735 121.9335 54.6658 18.2198 178.1750 30 G 3.9907 7.8329 101.6828 45.3386 0.0000 174.5448 31 L 4.1349 7.8633 126.3046 54.4916 40.5345 175.5119 32 T 4.1438 7.9927 119.3364 62.6227 68.9627 175.0421 33 L 4.3177 8.7199 133.8137 59.2352 40.9341 176.6997 34 S 4.5013 7.9979 117.7634 63.5197 62.2633 179.6144 35 E 4.1658 8.0198 122.4389 58.6810 29.4926 178.4337 36 L 3.8942 8.0840 120.4841 58.0662 42.0763 178.8363 37 A 3.9967 7.7039 119.3524 55.2467 17.9307 179.5161 38 A 3.9689 8.1517 119.3235 54.9190 18.2506 179.1725 39 R 3.8650 8.6021 115.3253 57.3715 30.4975 177.1237 40 A 4.5272 7.8280 117.9838 51.9107 19.8775 177.6904 41 G 3.8553 7.7612 105.6601 44.9470 0.0000 173.6100 42 I 4.2723 7.1366 115.0879 59.8613 39.7983 176.5506 43 S 4.5327 8.1777 119.4390 59.7658 64.0751 172.9457 44 Q 4.2241 8.6127 122.3456 59.1024 28.8073 178.9350 45 A 4.2196 8.0960 123.7833 55.9854 18.2669 179.9491 46 N 4.3993 8.2066 117.3481 57.5349 37.6423 178.7233 47 L 4.6614 8.5475 124.3688 58.9783 42.2880 179.8226 48 S 4.6500 8.1060 122.0910 63.1931 61.9128 180.3500 49 R 3.9517 7.5243 119.9327 61.1030 29.0368 181.3247 50 Y 4.3069 7.5943 113.5558 59.2120 38.7089 176.3037 51 F 4.8350 7.6129 116.0529 55.5631 42.5783 175.0654 52 E 3.9578 9.3939 127.3236 58.7731 29.6901 176.1587 53 T 4.7930 7.7297 105.3999 59.1599 72.1208 173.7879 54 R 3.9436 8.6893 123.5616 60.0667 30.3503 178.7338 55 E 4.0181 8.3662 112.6156 59.1426 30.0601 179.7636 56 D 4.6080 8.1030 119.7995 57.3387 41.0882 179.0608 57 L 3.2645 7.5873 117.3147 55.7138 41.5688 178.1257 *59 E 4.0964 8.3015 118.4668 55.8865 31.6283 178.0312 60 A 4.0420 8.0624 120.4124 55.1522 18.1620 179.6737 61 I 3.6153 7.6994 117.1702 64.4741 37.6428 178.2492 62 A 2.9401 7.4352 120.8288 54.9981 17.9868 179.3458 63 D 4.4321 8.3911 118.8033 57.6512 41.1766 178.3124 *64 Y 4.4104 7.8652 119.4951 58.6027 37.0588 180.7086 65 W 4.1885 7.6284 128.5739 61.3400 30.7142 176.6974 66 F 4.5769 8.0143 112.6636 57.4756 39.0039 175.9979 67 H 4.3051 8.2963 123.0348 58.9734 29.7525 175.9910 68 P 4.2031 0.0000 0.0000 63.3031 31.2525 178.0821 *70 V 4.1965 7.9123 118.9817 63.1718 33.2531 176.2670 71 E 4.0706 8.4021 119.4834 59.7728 29.5799 179.9948 72 I 3.8972 7.5192 115.2083 62.3992 36.7338 177.5679 *74 E 3.9412 8.2530 122.4299 56.5231 31.2732 177.9420 75 D 4.2987 8.1892 117.5320 57.2814 41.2200 178.7725 76 V 3.7360 7.7869 118.5432 66.1376 31.3889 178.0799 77 L 3.9458 7.7418 116.5157 57.7196 41.5552 178.9801 78 A 4.1571 8.0612 119.8859 53.4340 18.4975 177.8506 79 S 4.3233 7.1142 111.3117 58.5929 63.7436 173.6423 80 D 4.7825 8.3418 118.4541 54.0697 40.6814 177.1325 81 L 4.1529 7.3836 120.3265 53.7235 42.2342 176.0588 82 P 4.4576 0.0000 0.0000 62.2145 33.0571 175.5912 83 P 4.2760 0.0000 0.0000 65.9644 31.2918 178.6418 84 R 2.8735 7.4716 115.9734 59.0410 30.1945 178.3378 85 R 4.1486 7.7158 117.3463 59.0290 30.0472 179.7760 86 K 4.2514 8.1597 115.7638 57.1135 31.9388 178.2885 *88 Y 4.6292 7.8035 121.2652 57.8499 40.5851 177.0474 89 E 3.9858 8.5500 119.2846 59.1582 29.2068 178.9498 90 F 4.0454 8.4072 120.4501 61.3309 39.5866 176.9496 91 F 4.4120 8.0417 116.2041 60.2579 39.1018 177.6477 92 A 4.0428 8.2530 120.6248 55.3975 17.8772 179.9389 93 R 3.9211 7.8284 115.2545 59.2901 30.2097 179.3875 94 R 4.0454 7.8570 117.4517 59.1102 30.0441 178.2514 95 F 4.3693 8.1967 119.3117 61.7251 39.6136 176.9386 96 V 3.3174 8.1110 117.8638 65.8044 31.2747 178.0378 97 V 3.4321 7.2040 114.8160 63.6695 31.0128 177.3173 *99 R 4.1895 7.9133 119.3338 55.8304 31.8624 177.3481 100 R 3.9029 7.9031 117.4564 59.2887 29.9133 178.5531 101 K 3.8642 7.8378 117.6977 59.3612 31.8995 179.0142 102 W 4.1502 8.2137 126.4873 60.6296 30.7006 177.2705 103 E 3.9407 8.7512 117.8350 59.1126 28.9433 178.9298 104 A 4.1407 7.7627 119.9160 53.2630 18.9012 177.4485 105 D 4.0974 7.7749 113.1852 51.6736 45.0754 174.5393 106 P 4.0894 0.0000 0.0000 65.8468 31.1302 178.6968 107 V 3.7310 8.2967 119.4452 66.3049 31.3634 178.8592 108 K 4.0270 8.1407 123.7665 59.6607 31.5446 181.7726 109 L 4.2880 7.9474 121.4285 58.0831 42.1155 178.6475 110 Q 4.0958 8.2504 119.5701 59.4985 28.8896 178.3567 111 T 3.9008 8.4288 117.1996 66.7859 68.5184 175.8400 112 Y 4.5119 8.3095 121.3946 60.9455 38.7177 178.3393 113 I 3.7657 8.2262 120.5634 64.5843 37.0733 178.3505 114 E 3.8979 8.1703 118.0447 59.2471 29.4556 179.3452 115 V 3.3363 7.9477 118.6069 65.7815 31.5678 178.2485 116 G 3.0640 7.3128 105.2972 47.7264 0.0000 175.2523 117 N 4.4329 8.0721 117.9986 56.2377 38.5509 176.9050 118 D 4.4538 7.3392 119.4272 56.5546 42.3288 177.5252 119 Y 4.5546 7.2295 119.9378 56.4418 34.5329 176.0297 120 F 4.3368 7.6976 119.2941 60.1978 38.4207 177.2543 121 E 4.0212 7.2025 119.2511 59.0933 29.5072 178.6716 122 Q 4.0830 7.9844 117.7398 58.7013 28.8015 178.5398 123 V 3.4511 8.4645 119.8496 65.9847 31.5956 177.9229 124 R 3.8801 8.1123 118.3351 59.5700 29.8382 178.2865 125 S 4.0649 8.3121 112.9217 61.4979 62.3971 175.4059 126 Y 4.1450 8.0881 122.0946 60.9149 38.4318 178.1190 127 I 3.3334 7.7410 120.7563 64.2572 37.1751 177.9624 128 D 4.2173 8.1866 118.9177 57.2176 41.0253 178.0796 129 L 3.7092 8.1559 120.9889 57.8498 41.9852 178.6770 130 A 4.0940 8.1467 121.1536 55.4680 18.2253 179.3891 131 D 4.2997 8.3212 117.6218 57.5012 40.8072 178.4943 132 H 4.0372 8.0448 118.7855 59.6242 29.8993 177.0406 133 Y 4.3582 7.9983 118.5797 60.9459 37.6013 178.1393 134 L 3.3272 8.3071 121.8936 57.7388 42.1100 179.0439 135 G 3.6318 8.2797 106.0723 48.0548 0.0000 175.4234 136 E 3.9970 8.0440 120.8417 59.0357 29.3692 179.4953 137 I 3.6728 7.5680 119.7900 64.4604 36.9628 178.5212 138 I 3.8817 7.7763 119.5975 64.3348 36.9935 178.2784 139 G 3.8424 8.2365 105.7420 47.8994 0.0000 174.9749 140 E 4.1633 8.2732 121.6020 58.7187 29.6216 179.5628 141 A 4.2064 8.1711 118.5710 52.9614 18.2579 179.2577 *143 S 4.3522 8.0100 118.3818 60.3372 64.7462 175.4203 144 D 4.3953 7.8781 118.0981 55.2186 40.6181 176.7772 145 G 3.8642 8.2687 104.7417 45.1271 0.0000 173.9157 146 A 3.8569 7.8369 123.0110 51.8492 19.2617 176.6529 147 F 4.1887 7.7730 113.7346 56.9692 36.7192 176.1148 148 S 4.2535 7.9275 114.1650 59.9940 62.5990 174.7811 149 G 3.9660 8.9835 115.5047 45.4270 0.0000 173.0733 150 L 4.6816 7.4937 119.1044 53.6253 43.5103 176.7059 151 E 4.4504 9.2214 121.0463 55.2180 32.0010 178.3656 152 V 3.4981 8.0705 120.0492 66.1074 31.8491 177.7778 153 D 4.3256 8.0492 118.7113 56.6824 39.0415 178.3675 154 E 3.9637 8.0594 118.9738 59.1107 29.5799 179.0659 155 T 3.6543 7.7667 116.5287 66.2143 68.4099 176.6367 156 I 3.5906 7.8840 122.1290 64.4062 37.0927 178.3755 157 S 4.0471 7.8306 113.2416 61.4133 62.0441 176.1063 158 L 3.9173 7.8450 120.5856 57.7609 41.4123 179.5016 159 V 3.6851 7.8322 117.3558 66.1349 31.3971 177.3979 160 N 4.5886 8.3121 116.2567 56.3825 38.0987 177.2511 161 Q 4.7265 7.8630 116.9587 56.4857 29.1375 176.6940 *163 C 4.2258 7.9312 115.3991 59.1143 30.0500 175.3557 164 A 3.9072 7.4543 125.3886 55.0039 17.8336 179.0869 165 P 3.9234 0.0000 0.0000 64.9873 31.2907 176.7533 166 Y 4.1599 7.5807 114.3048 57.8299 38.1040 175.0055 167 C 4.6561 7.7984 118.1985 60.7905 34.7418 173.9960 168 A 4.2167 8.3960 126.1433 51.7791 17.7179 178.1751 169 L 4.2194 8.6702 123.7661 58.3953 42.4720 178.9234 170 N 4.6065 8.3060 115.9661 56.6271 38.8907 177.7450 171 T 4.4062 7.5693 112.9282 64.2360 67.8984 176.6835 *173 T 4.1909 8.0758 119.0244 64.1148 70.4230 175.7895 174 T 4.0070 7.8151 115.8726 66.7263 68.7215 175.6484 175 F 4.1732 8.2505 122.5842 56.2205 37.2173 175.5936 *177 E 4.2073 8.0660 122.5073 55.7386 31.5246 177.1219 178 R 4.4447 8.1279 115.3557 55.9671 30.8172 176.4762 179 L 4.4764 7.5973 118.2913 54.4656 42.9553 176.4487 180 S 4.9133 8.7194 114.4588 56.5742 67.1381 176.1048 181 E 4.1572 8.9819 122.8174 59.8265 29.4085 179.2829 182 D 4.3823 8.2188 118.3575 57.4828 40.9663 179.0177 183 K 4.0075 8.1420 118.8520 59.3072 31.9975 179.2211 184 L 3.3717 7.7596 120.3997 57.7788 41.8769 178.7746 185 A 3.9996 8.4458 121.1273 55.3552 18.2901 179.8409 186 R 3.8933 7.8956 116.1660 59.3248 30.0346 179.4389 187 I 3.6947 7.7996 119.5951 64.4115 37.0807 178.6447 188 V 3.7759 8.0494 119.2569 66.1659 31.2745 177.7054 189 D 4.3834 8.3125 118.4230 57.4038 40.6635 178.6997 190 A 4.0158 8.1823 121.2674 54.9596 18.3569 179.7505 191 V 3.6301 8.3153 117.1698 66.4097 31.4800 178.2689 192 F 3.5585 8.5605 116.1912 60.2537 38.9501 176.7450 193 D 4.7797 8.4920 115.9552 54.6883 41.1961 177.2790 194 G 3.9811 8.2003 106.9300 45.1944 0.0000 173.2507 195 L 4.4447 7.8427 123.2688 53.8573 42.8199 175.5892 196 S 4.4363 8.0726 118.5596 57.7602 65.1722 174.6418 197 A 4.1527 8.7463 122.8474 53.1525 18.3264 177.4669 198 Q 4.1650 7.7037 118.0118 55.0283 29.4233 175.3291 199 D 4.5198 8.6841 126.0820 54.7612 41.2823 176.2778 200 R 4.8373 8.1403 121.3428 55.2686 31.1762 176.2274 201 G 4.2764 8.6292 104.4030 44.6150 0.0000 175.2388 202 A 4.0886 8.0786 122.7178 54.5841 18.5429 178.5854 203 R 4.4188 7.8572 113.6835 57.0251 31.5474 175.8236 204 S 4.6644 7.6285 112.7890 57.0681 65.8581 175.5115 205 L 4.0813 8.5525 121.4515 57.6208 40.9947 180.6525 206 T 3.9495 8.1465 113.8705 66.9092 68.3340 175.7742 207 G 3.7035 8.0752 109.7730 48.1885 0.0000 173.3880 208 L 4.1550 7.5646 124.0117 54.9396 41.5355 176.6970 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 5 G 8.31 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 6 T 8.65 4.00 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 7 E 8.27 4.21 0.00 2.06 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 0.00 2.23 1.93 0.00 8 H 8.24 4.64 0.00 3.16 3.38 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.98 4.59 0.00 3.03 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.63 4.11 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 *12 R 7.94 3.85 0.00 2.02 1.95 0.00 3.11 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.22 0.00 13 A 7.97 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.02 3.89 0.00 1.85 1.95 0.00 3.28 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 1.56 1.54 0.00 15 L 7.75 4.19 0.00 2.01 1.91 0.54 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.15 3.56 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.20 0.00 0.00 17 D 8.18 4.32 0.00 3.02 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.86 3.52 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 19 A 8.19 3.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.51 4.01 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.82 0.00 21 A 7.99 4.03 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 22 I 7.82 3.65 2.02 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 1.41 0.74 0.91 0.00 0.00 23 V 7.99 3.65 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 1.02 0.00 0.00 1.01 0.00 0.00 24 E 8.29 4.13 0.00 2.23 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 2.71 2.87 0.00 25 E 7.99 4.22 0.00 2.14 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 2.36 2.49 0.00 26 R 7.78 4.41 0.00 1.74 1.88 0.00 3.37 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 27 G 8.63 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 28 G 8.51 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.17 3.86 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 30 G 7.83 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 31 L 7.86 4.13 0.00 1.57 1.73 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.99 4.14 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 33 L 8.72 4.32 0.00 1.64 1.71 0.92 0.91 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 34 S 8.00 4.50 0.00 3.73 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 35 E 8.02 4.17 0.00 2.02 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 2.37 2.36 0.00 36 L 8.08 3.89 0.00 1.78 1.81 0.94 0.97 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 37 A 7.70 4.00 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 38 A 8.15 3.97 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 39 R 8.60 3.87 0.00 1.83 2.02 0.00 3.24 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 A 7.83 4.53 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 41 G 7.76 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 42 I 7.14 4.27 1.93 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 1.17 0.75 0.92 0.00 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0.00 *70 V 7.91 4.20 2.27 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 1.02 0.00 0.00 1.21 0.00 0.00 71 E 8.40 4.07 0.00 2.14 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 2.28 2.13 0.00 72 I 7.52 3.90 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.05 0.86 0.00 0.00 *74 E 8.25 3.94 0.00 2.01 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 2.16 2.36 0.00 75 D 8.19 4.30 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.79 3.74 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 1.14 0.00 0.00 0.97 0.00 0.00 77 L 7.74 3.95 0.00 1.36 1.57 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.06 4.16 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 79 S 7.11 4.32 0.00 4.03 4.02 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0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 123 V 8.46 3.45 2.38 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 1.14 0.00 0.00 1.29 0.00 0.00 124 R 8.11 3.88 0.00 2.12 2.17 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 125 S 8.31 4.06 0.00 4.05 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 0.00 126 Y 8.09 4.14 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.74 3.33 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.85 0.00 0.00 128 D 8.19 4.22 0.00 2.87 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 0.00 129 L 8.16 3.71 0.00 1.80 1.73 0.50 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.15 4.09 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 0.00 131 D 8.32 4.30 0.00 2.79 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 0.00 132 H 8.04 4.04 0.00 3.11 3.18 0.00 5.78 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 Y 8.00 4.36 0.00 3.24 2.89 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 0.00 134 L 8.31 3.33 0.00 1.42 1.52 0.52 1.03 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 0.00 135 G 8.28 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.04 4.00 0.00 2.20 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 2.28 2.39 0.00 137 I 7.57 3.67 1.82 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.59 1.02 0.00 0.00 138 I 7.78 3.88 1.89 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.44 0.73 0.00 0.00 139 G 8.24 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 0.00 0.00 0.00 0.00 140 E 8.27 4.16 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 141 A 8.17 4.21 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 4.35 0.00 4.07 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 0.00 144 D 7.88 4.40 0.00 2.90 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 0.00 145 G 8.27 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 0.00 146 A 7.84 3.86 0.27 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 0.00 147 F 7.77 4.19 0.00 3.18 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 0.00 148 S 7.93 4.25 0.00 3.83 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 0.00 149 G 8.98 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 0.00 150 L 7.49 4.68 0.00 1.80 1.57 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 151 E 9.22 4.45 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 152 V 8.07 3.50 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 1.12 0.00 0.00 0.91 0.00 0.00 153 D 8.05 4.33 0.00 2.88 2.89 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 0.00 154 E 8.06 3.96 0.00 2.17 2.22 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 2.48 2.34 0.00 155 T 7.77 3.65 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 0.33 0.00 0.00 156 I 7.88 3.59 1.97 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 1.32 0.68 0.89 0.00 0.00 157 S 7.83 4.05 0.00 3.89 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 0.00 158 L 7.84 3.92 0.00 1.66 1.65 0.86 0.96 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 0.00 159 V 7.83 3.69 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 1.05 0.00 0.00 0.80 0.00 0.00 160 N 8.31 4.59 0.00 2.99 2.90 0.00 0.00 7.10 7.31 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 0.00 161 Q 7.86 4.73 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 *163 C 7.93 4.23 0.00 2.40 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 0.00 0.00 0.00 0.00 164 A 7.45 3.91 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 0.00 165 P 0.00 3.92 0.00 1.15 1.04 0.00 3.34 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.99 0.00 166 Y 7.58 4.16 0.00 2.80 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 0.00 167 C 7.80 4.66 0.00 3.08 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 0.00 168 A 8.40 4.22 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 0.00 169 L 8.67 4.22 0.00 1.82 1.92 1.35 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.31 4.61 0.00 2.81 2.91 0.00 0.00 7.18 7.05 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 0.00 171 T 7.57 4.41 4.34 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 1.05 0.00 0.00 *173 T 8.08 4.19 4.46 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 1.34 0.00 0.00 174 T 7.82 4.01 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 175 F 8.25 4.17 0.00 3.03 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 *177 E 8.07 4.21 0.00 1.99 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 2.29 2.38 0.00 178 R 8.13 4.44 0.00 1.96 2.02 0.00 3.10 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 179 L 7.60 4.48 0.00 1.68 1.29 0.64 0.08 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 0.00 180 S 8.72 4.91 0.00 4.15 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 0.00 181 E 8.98 4.16 0.00 2.20 2.29 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 2.69 2.77 0.00 182 D 8.22 4.38 0.00 2.73 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 0.00 183 K 8.14 4.01 0.00 2.06 1.92 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.50 7.81 184 L 7.76 3.37 0.00 0.36 1.54 0.35 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 185 A 8.45 4.00 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 0.00 186 R 7.90 3.89 0.00 2.06 1.99 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 187 I 7.80 3.69 1.89 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 1.39 0.82 0.85 0.00 0.00 188 V 8.05 3.78 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 1.32 0.00 0.00 1.16 0.00 0.00 189 D 8.31 4.38 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.18 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 V 8.32 3.63 2.48 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 1.19 0.00 0.00 1.07 0.00 0.00 192 F 8.56 3.56 0.00 3.18 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 D 8.49 4.78 0.00 2.76 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 0.00 194 G 8.20 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 0.00 195 L 7.84 4.44 0.00 1.94 1.93 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 196 S 8.07 4.44 0.00 4.14 3.81 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 0.00 0.00 0.00 0.00 197 A 8.75 4.15 1.36 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 0.00 198 Q 7.70 4.17 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 199 D 8.68 4.52 0.00 2.71 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 0.00 200 R 8.14 4.84 0.00 1.75 1.87 0.00 3.23 0.00 0.00 4.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 201 G 8.63 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 0.00 0.00 0.00 0.00 202 A 8.08 4.09 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 0.00 203 R 7.86 4.42 0.00 1.77 1.95 0.00 3.24 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 204 S 7.63 4.66 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 8.55 4.08 0.00 1.59 1.73 0.92 0.65 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 0.00 206 T 8.15 3.95 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 0.00 207 G 8.08 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 0.00 208 L 7.56 4.16 0.00 1.75 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.