NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6280 8.3649 120.2650 53.2196 40.3768 173.8345 6 F 4.6743 8.2143 128.4933 55.9497 40.9467 172.3152 7 E 3.8426 9.4040 124.5094 60.0471 30.5704 175.0068 8 E 3.8288 8.3502 128.6238 55.7734 28.0836 172.9054 9 K 4.5785 8.5558 126.4471 54.6299 35.4233 174.9118 10 M 4.7566 8.5354 123.6443 54.0651 31.9901 175.1518 11 I 3.9861 8.0765 125.9669 62.4935 36.6246 175.6947 12 L 5.0252 7.9234 120.7957 54.3645 44.8649 175.4256 13 I 5.8805 8.6307 119.6695 58.8058 40.9114 174.9848 14 R 4.7347 8.4599 120.3884 54.6836 33.2831 173.3939 15 R 4.3754 8.4654 121.5432 55.1708 30.9760 175.5696 16 T 4.7244 8.4189 117.0891 60.6092 72.1170 172.6862 17 A 4.7837 8.0935 120.7726 51.0718 21.5506 175.9462 18 R 4.6535 8.3282 115.1604 54.7378 33.2298 174.2813 19 M 4.4589 8.3254 119.6682 54.5179 34.2679 175.4650 20 Q 4.2435 8.6922 118.2451 54.8000 32.6974 172.4915 21 A 4.1261 8.6738 128.2049 56.0721 17.8492 177.1191 22 G 4.0029 9.1110 109.2685 45.9624 0.0000 173.8098 23 G 3.5800 7.2683 107.6133 44.3643 0.0000 171.8031 24 R 4.6298 7.7451 119.3428 53.2197 30.9139 176.0380 25 R 3.9811 8.2307 124.5410 56.1608 31.5125 174.3833 26 F 5.2668 9.3599 120.8525 56.2154 42.6509 174.6039 27 R 5.1521 7.7872 127.3114 57.1340 32.1730 173.1896 28 F 5.3281 8.3120 120.4651 55.6255 43.3129 174.0074 29 G 4.4014 9.4598 108.8802 44.3424 0.0000 171.9543 30 A 5.1498 8.2787 124.2494 49.9003 22.4556 174.4861 31 L 5.2922 9.0129 125.4607 53.6913 44.2570 175.4754 32 V 4.7942 9.0823 125.8198 61.2106 35.4209 174.1547 33 V 4.8264 8.3408 126.0272 61.4106 34.4656 174.5347 34 V 4.7334 8.2859 124.4211 61.4404 35.1705 174.1692 35 G 4.7043 8.5032 112.4200 45.1790 0.0000 173.3477 36 D 4.8394 8.7551 120.5530 53.4053 40.4809 177.1272 37 R 4.2671 8.1833 116.3475 58.3723 26.5868 176.5402 38 Q 4.4989 9.7223 117.6953 55.6553 31.1111 175.2102 39 G 3.3736 7.4372 107.8080 45.7847 0.0000 172.2925 40 R 5.0274 7.9717 120.0830 54.1066 33.1742 175.1930 41 V 5.2934 7.6902 115.6166 60.8698 37.1523 173.5425 42 G 4.5053 8.2413 107.6174 44.8321 0.0000 171.3919 43 L 5.1140 8.4289 125.2250 53.0599 44.4026 175.8899 44 G 4.1959 9.0516 112.4450 44.7385 0.0000 170.8364 45 F 5.5514 8.9380 127.9815 56.3747 41.6279 174.7570 46 G 3.9348 8.7747 113.1996 44.3255 0.0000 171.2663 47 K 5.6610 8.2752 123.5708 54.0066 35.1279 175.1784 48 A 4.4626 8.1843 122.2761 50.8999 22.0979 175.5452 49 P 4.4542 0.0000 0.0000 64.4662 31.8324 176.1333 50 E 4.1908 8.1532 118.1328 53.4560 32.6028 174.9516 51 V 3.3366 7.3494 121.7276 65.3423 31.3751 176.1451 52 P 4.1440 0.0000 0.0000 65.9103 31.4065 178.1362 53 L 3.8890 7.9537 116.3996 57.9753 41.5209 179.0575 54 A 3.9963 7.8955 120.2625 55.5704 18.0803 179.7431 55 V 3.5264 7.5067 114.8649 66.5134 31.8249 177.3163 56 Q 4.0265 8.0466 118.9219 59.2434 28.7175 178.3226 57 K 4.0340 8.5033 118.6595 59.8881 32.2702 178.5320 58 A 4.1839 8.4254 120.8642 55.6186 18.2138 179.7673 59 G 3.6959 8.2380 103.2613 48.1195 0.0000 174.7487 60 Y 4.3547 8.2101 121.8108 60.8904 38.8423 177.8743 61 Y 3.6581 8.2172 117.2045 60.7671 37.5193 178.1799 62 A 4.0718 8.3570 122.0112 55.6821 18.2199 180.0354 63 R 3.9034 7.7990 114.8243 59.2351 30.2002 178.6460 64 R 4.1341 7.4342 117.3786 58.1186 30.9774 175.6618 65 N 4.9004 7.9952 118.0351 51.4012 39.2689 172.9853 66 M 5.1336 8.2649 121.9097 52.8839 36.0560 174.8460 67 V 4.4583 9.0253 120.9368 59.7821 34.9595 175.1476 68 E 4.5594 8.6399 121.9190 55.5295 28.1061 174.5105 69 V 3.7175 8.9897 126.3392 63.1251 32.4675 173.1248 70 P 4.7349 0.0000 0.0000 61.3505 30.0919 176.1275 71 L 4.2991 7.9821 126.1116 55.6448 43.1499 177.3947 72 Q 4.5678 8.0620 112.4818 55.4012 30.4212 173.5698 73 N 4.3885 9.3048 112.4849 53.9411 39.3165 174.4166 74 G 4.0415 8.7757 102.8900 45.6305 0.0000 173.2204 75 T 4.6611 7.2445 115.2373 61.4774 67.2952 175.4862 76 I 4.7325 8.1534 117.8139 58.6318 41.0893 172.8750 77 P 4.3764 0.0000 0.0000 65.5660 31.2266 175.8668 78 H 5.0121 7.8735 111.5592 52.9135 31.8061 171.6930 79 E 4.7373 8.5557 119.3352 55.6434 30.2648 176.2364 80 I 4.7693 8.6465 116.5006 59.2680 41.7113 173.8278 81 E 5.2469 8.6277 121.3360 54.7890 33.3220 175.5461 82 V 4.4416 8.6285 122.6571 61.5543 35.4472 173.1957 83 E 5.0908 8.9266 127.4707 54.8403 30.5286 175.1422 84 F 4.7096 8.7771 127.1702 57.0614 41.9293 174.3095 85 G 3.6107 7.9074 117.3183 46.8345 0.0000 173.3980 86 A 4.4247 8.2944 127.5949 51.8717 19.2490 175.9689 87 S 5.4323 7.7226 114.4021 57.7631 65.7505 173.1785 88 K 4.9982 8.7072 126.5352 54.7853 34.7180 174.7951 89 I 5.0313 8.5392 125.6382 59.3127 41.6847 173.7093 90 V 4.7933 8.6007 129.0468 61.1652 34.0281 174.2297 91 L 5.1529 9.0216 127.6074 53.0090 44.4036 175.5440 92 K 4.9987 9.2018 124.3453 53.4608 35.4327 174.3615 93 P 4.6081 0.0000 0.0000 62.9319 31.9425 175.5935 94 A 4.8649 8.4022 124.1699 49.7667 21.4529 176.6312 95 A 4.0820 8.4778 122.0863 51.1923 19.1654 176.0851 96 P 4.9750 0.0000 0.0000 63.5824 31.8855 174.8978 97 G 3.7734 8.8826 112.7195 46.0781 0.0000 172.3202 98 T 4.5863 8.3601 118.5745 66.0402 75.4564 173.9170 99 G 4.0524 7.3969 105.4864 44.0904 0.0000 173.1804 100 V 4.4674 7.8983 121.0296 61.1441 30.7894 173.0485 101 I 4.1492 8.2709 117.5103 60.2997 38.8236 175.3069 102 A 4.8360 7.6183 127.0107 51.9790 22.2345 175.3314 103 G 3.7576 8.4595 108.3556 44.4532 0.0000 173.8807 104 A 3.7805 8.0533 118.4922 56.0405 18.0977 179.5634 105 V 3.4872 7.9043 113.8176 65.8898 31.5942 176.7146 106 P 4.2178 0.0000 0.0000 66.6869 31.1688 177.4092 107 R 3.8109 8.8780 118.2893 59.4168 29.6548 178.9593 108 A 3.4330 9.0296 115.5988 53.2047 19.2822 179.3748 109 I 3.6445 8.0461 116.3893 64.2840 37.8017 178.6061 110 L 4.0697 8.2174 119.4631 57.4911 41.3813 179.4261 111 E 3.9483 8.4343 119.1450 59.5906 29.2801 179.4139 112 L 4.2842 7.6801 117.0552 57.4206 41.4696 179.0208 113 A 4.1501 7.6469 119.0095 52.4841 18.5141 177.1792 114 G 3.6410 8.3820 105.4645 46.5411 0.0000 174.1718 115 V 4.3239 7.5415 118.2189 62.0534 32.9552 175.1940 116 T 4.6917 8.4845 115.0248 63.6429 73.8567 173.0641 117 D 5.1216 7.8932 120.3264 52.2243 42.9016 173.5390 118 I 4.9011 8.4048 122.3287 59.3993 42.3148 173.0403 119 L 4.7202 9.8180 130.2745 53.5239 43.5541 175.2697 120 T 5.6458 9.0430 112.8310 60.9296 72.8086 172.2826 121 K 3.9010 8.5593 121.2676 54.9752 33.7372 174.0995 122 E 4.6603 8.3141 128.1218 55.9461 30.4435 176.0343 123 L 4.8493 8.7514 122.4211 53.0166 46.5291 177.2656 124 G 3.6014 8.4152 107.5855 46.7860 0.0000 174.7988 125 S 4.2335 9.6375 121.5264 58.3587 62.4525 174.1520 126 R 4.4432 8.3376 127.9746 56.4444 30.6320 176.6645 127 N 4.4112 7.9692 117.6025 53.6776 39.6692 171.7745 128 P 4.0605 0.0000 0.0000 66.0897 31.5692 178.2777 129 I 3.5950 7.8050 116.7250 64.9281 37.3890 178.0204 130 N 4.7341 8.3452 115.9894 55.7084 38.5806 177.5709 131 I 3.8360 8.2302 122.0882 64.6056 37.3342 177.0666 132 A 3.9150 8.9467 120.6044 54.8861 17.4745 178.9740 133 Y 3.6844 7.8779 113.4758 60.4977 38.1708 178.6570 134 A 4.1104 8.1536 121.7966 55.1543 18.4655 179.3647 135 T 3.8398 8.5597 113.2484 67.3625 68.7115 176.0371 136 M 3.8660 7.7688 119.3497 59.1093 31.8524 178.5862 137 E 4.0371 7.8126 117.3572 58.5705 29.9630 179.0966 138 A 4.1427 7.5671 121.6251 54.7228 18.6600 179.1315 139 L 3.8461 8.0218 116.8706 58.2167 41.7329 179.9681 140 R 3.9068 8.2244 116.8119 58.4089 30.0265 176.3906 141 Q 4.6782 8.2430 116.9913 55.8289 29.5809 174.9954 142 L 4.7731 8.0041 118.2284 53.5721 42.9749 176.6982 143 R 4.6697 8.1706 121.2141 54.0449 33.9991 175.3508 144 T 4.5917 8.9061 111.7505 59.6209 72.6744 175.3795 145 K 3.7858 8.6579 122.3098 60.3456 31.9246 177.6123 146 A 4.0497 8.3861 119.9349 54.6544 17.8026 177.8525 147 D 4.4143 7.1163 121.6151 54.8938 40.1775 178.9703 148 V 3.7876 7.6808 120.6358 65.7568 31.4043 177.0394 149 E 4.1425 8.3062 116.0669 57.9064 29.5080 178.5988 150 R 3.9177 8.0978 119.9300 58.7554 30.2203 176.6028 151 L 4.4857 7.9344 116.7552 54.9602 42.6347 176.8578 152 R 4.7572 7.0889 118.0265 55.6622 32.1032 177.7240 153 K 4.0050 8.3909 122.4100 56.4543 30.5052 178.3805 154 G 3.4476 9.2845 117.8474 47.0131 0.0000 174.1557 *155 E 4.1319 8.1541 119.6171 56.2556 30.4399 175.6866 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 D 8.36 4.63 0.00 2.69 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 6 F 8.21 4.67 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.40 3.84 0.00 2.10 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 2.35 2.32 0.00 8 E 8.35 3.83 0.00 2.21 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 0.00 2.23 2.34 0.00 9 K 8.56 4.58 0.00 1.81 1.59 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 M 8.54 4.76 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 11 I 8.08 3.99 2.02 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 1.31 0.83 0.94 0.00 0.00 12 L 7.92 5.03 0.00 1.67 1.75 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.63 5.88 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.24 1.04 0.00 0.00 14 R 8.46 4.73 0.00 1.84 2.02 0.00 3.01 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 15 R 8.47 4.38 0.00 0.90 1.57 0.00 2.21 0.00 0.00 2.62 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 16 T 8.42 4.72 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 1.23 0.00 0.00 17 A 8.09 4.78 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 18 R 8.33 4.65 0.00 1.79 1.94 0.00 2.74 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 19 M 8.33 4.46 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 20 Q 8.69 4.24 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 21 A 8.67 4.13 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 22 G 9.11 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 0.00 0.00 0.00 23 G 7.27 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.75 4.63 0.00 1.21 1.73 0.00 2.71 0.00 0.00 3.03 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 25 R 8.23 3.98 0.00 1.86 1.75 0.00 3.15 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 26 F 9.36 5.27 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.79 5.15 0.00 2.02 1.90 0.00 3.15 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 28 F 8.31 5.33 0.00 2.92 2.90 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 29 G 9.46 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 0.00 0.00 0.00 0.00 30 A 8.28 5.15 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 31 L 9.01 5.29 0.00 1.95 1.65 0.93 0.54 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 32 V 9.08 4.79 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 1.00 0.00 0.00 0.98 0.00 0.00 33 V 8.34 4.83 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 0.84 0.00 0.00 0.92 0.00 0.00 34 V 8.29 4.73 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 0.75 0.00 0.00 0.99 0.00 0.00 35 G 8.50 4.70 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 36 D 8.76 4.84 0.00 3.00 3.36 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 37 R 8.18 4.27 0.00 2.00 2.26 0.00 3.22 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 38 Q 9.72 4.50 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.60 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 39 G 7.44 3.37 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 0.00 40 R 7.97 5.03 0.00 1.92 1.57 0.00 3.18 0.00 0.00 3.60 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 41 V 7.69 5.29 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 0.81 0.00 0.00 0.86 0.00 0.00 42 G 8.24 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 0.00 0.00 0.00 0.00 43 L 8.43 5.11 0.00 1.46 1.30 0.90 0.52 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 44 G 9.05 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 45 F 8.94 5.55 0.00 2.90 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 46 G 8.77 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 0.00 0.00 0.00 47 K 8.28 5.66 0.00 1.51 1.64 0.00 1.00 0.00 0.00 1.89 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 0.89 7.81 48 A 8.18 4.46 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 49 P 0.00 4.45 0.00 2.08 2.19 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 50 E 8.15 4.19 0.00 1.92 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 0.00 2.09 2.09 0.00 51 V 7.35 3.34 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 0.97 0.00 0.00 0.40 0.00 0.00 52 P 0.00 4.14 0.00 2.13 2.07 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 53 L 7.95 3.89 0.00 1.81 1.74 0.91 0.73 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 54 A 7.90 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.51 3.53 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 0.85 0.00 0.00 0.98 0.00 0.00 56 Q 8.05 4.03 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.45 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 57 K 8.50 4.03 0.00 2.18 2.46 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.30 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.65 1.75 7.81 58 A 8.43 4.18 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 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 60 Y 8.21 4.35 0.00 2.92 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 61 Y 8.22 3.66 0.00 3.13 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 62 A 8.36 4.07 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 63 R 7.80 3.90 0.00 2.02 2.13 0.00 3.34 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 64 R 7.43 4.13 0.00 1.49 2.03 0.00 2.93 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 65 N 8.00 4.90 0.00 2.85 2.59 0.00 0.00 6.99 6.93 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 66 M 8.26 5.13 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 67 V 9.03 4.46 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 0.90 0.00 0.00 68 E 8.64 4.56 0.00 1.98 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 2.25 2.29 0.00 69 V 8.99 3.72 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 0.93 0.00 0.00 0.89 0.00 0.00 70 P 0.00 4.73 0.00 2.21 2.08 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 71 L 7.98 4.30 0.00 1.66 1.68 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.06 4.57 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 73 N 9.30 4.39 0.00 2.75 3.13 0.00 0.00 7.34 7.98 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 74 G 8.78 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.24 4.66 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 1.24 0.00 0.00 76 I 8.15 4.73 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 1.48 0.65 0.95 0.00 0.00 77 P 0.00 4.38 0.00 2.28 2.17 0.00 3.74 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 2.12 1.97 0.00 78 H 7.87 5.01 0.00 3.21 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.56 4.74 0.00 1.84 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 2.28 2.37 0.00 80 I 8.65 4.77 1.81 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 1.27 0.67 0.00 0.00 81 E 8.63 5.25 0.00 1.81 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 2.19 2.26 0.00 82 V 8.63 4.44 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 1.00 0.00 0.00 0.95 0.00 0.00 83 E 8.93 5.09 0.00 1.89 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 2.24 2.29 0.00 84 F 8.78 4.71 0.00 3.12 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 85 G 7.91 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 86 A 8.29 4.42 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 87 S 7.72 5.43 0.00 3.97 3.87 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 0.00 0.00 0.00 88 K 8.71 5.00 0.00 1.84 1.64 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.37 7.81 89 I 8.54 5.03 1.89 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 1.12 1.48 0.97 0.00 0.00 90 V 8.60 4.79 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 0.91 0.00 0.00 0.93 0.00 0.00 91 L 9.02 5.15 0.00 1.73 1.52 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.20 5.00 0.00 1.60 1.66 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.34 7.81 93 P 0.00 4.61 0.00 2.08 2.19 0.00 3.73 0.00 0.00 3.66 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 94 A 8.40 4.86 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 95 A 8.48 4.08 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 96 P 0.00 4.98 0.00 2.05 2.03 0.00 3.83 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 97 G 8.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.36 4.59 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 99 G 7.40 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.90 4.47 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 0.85 0.00 0.00 0.99 0.00 0.00 101 I 8.27 4.15 1.87 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 1.16 0.93 0.91 0.00 0.00 102 A 7.62 4.84 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 0.00 103 G 8.46 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 0.00 104 A 8.05 3.78 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 0.00 105 V 7.90 3.49 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.95 0.00 0.00 106 P 0.00 4.22 0.00 2.30 2.30 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 107 R 8.88 3.81 0.00 1.90 2.16 0.00 3.12 0.00 0.00 3.17 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 108 A 9.03 3.43 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 0.00 109 I 8.05 3.64 2.01 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 1.48 1.20 0.87 0.00 0.00 110 L 8.22 4.07 0.00 1.87 1.71 0.91 1.14 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 0.00 111 E 8.43 3.95 0.00 2.17 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 2.33 2.35 0.00 112 L 7.68 4.28 0.00 1.70 1.71 0.98 0.86 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 0.00 113 A 7.65 4.15 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 0.00 114 G 8.38 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 4.32 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 0.88 0.00 0.00 0.98 0.00 0.00 116 T 8.48 4.69 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 0.00 117 D 7.89 5.12 0.00 2.56 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 4.90 1.87 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 1.22 1.15 0.91 0.00 0.00 119 L 9.82 4.72 0.00 1.52 1.55 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 120 T 9.04 5.65 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 0.00 121 K 8.56 3.90 0.00 1.95 1.93 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.26 7.81 122 E 8.31 4.66 0.00 2.00 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 2.32 2.33 0.00 123 L 8.75 4.85 0.00 1.60 1.53 0.92 0.73 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 0.00 124 G 8.42 3.60 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 0.00 0.00 0.00 125 S 9.64 4.23 0.00 3.70 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.34 4.44 0.00 1.84 1.93 0.00 3.27 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 127 N 7.97 4.41 0.00 2.70 2.71 0.00 0.00 7.21 8.74 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 0.00 128 P 0.00 4.06 0.00 2.21 2.06 0.00 3.70 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 2.15 2.24 0.00 129 I 7.81 3.59 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.91 0.63 0.00 0.00 130 N 8.35 4.73 0.00 2.79 3.04 0.00 0.00 7.06 7.48 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 0.00 131 I 8.23 3.84 2.03 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 1.64 1.10 0.99 0.00 0.00 132 A 8.95 3.92 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 0.00 133 Y 7.88 3.68 0.00 2.53 1.74 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 0.00 134 A 8.15 4.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.56 3.84 4.32 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 1.18 0.00 0.00 136 M 7.77 3.87 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.74 0.00 137 E 7.81 4.04 0.00 2.07 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 2.31 2.48 0.00 138 A 7.57 4.14 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 0.00 139 L 8.02 3.85 0.00 1.81 1.73 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.22 3.91 0.00 1.81 1.97 0.00 3.18 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 141 Q 8.24 4.68 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.45 0.00 0.00 0.00 0.00 0.00 2.28 2.65 0.00 142 L 8.00 4.77 0.00 1.68 1.64 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.17 4.67 0.00 1.63 1.73 0.00 3.32 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 144 T 8.91 4.59 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 1.19 0.00 0.00 145 K 8.66 3.79 0.00 1.82 1.87 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.37 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.66 1.53 7.81 146 A 8.39 4.05 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 0.00 147 D 7.12 4.41 0.00 2.92 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 0.00 148 V 7.68 3.79 2.25 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 1.12 0.00 0.00 0.97 0.00 0.00 149 E 8.31 4.14 0.00 2.27 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 0.00 2.70 2.30 0.00 150 R 8.10 3.92 0.00 1.87 2.10 0.00 3.24 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 151 L 7.93 4.49 0.00 1.72 1.69 0.92 1.10 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 0.00 152 R 7.09 4.76 0.00 1.79 1.92 0.00 3.16 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 153 K 8.39 4.00 0.00 1.74 1.33 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.38 7.81 154 G 9.28 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *155 E 8.15 4.13 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.