NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3529 8.3349 115.3980 58.8641 64.2526 173.0736 0 H 4.6192 8.2778 114.2434 54.4878 29.0676 173.1772 1 M 4.3985 8.3404 118.8021 55.2879 34.0856 174.2390 2 S 4.1951 8.6534 122.7882 59.8806 63.4941 174.6914 3 V 4.2860 7.7355 120.0105 61.2086 32.1258 174.9054 4 S 4.7205 8.7451 120.4531 57.7024 64.0728 173.4946 5 K 4.6676 7.9456 121.4471 54.8013 34.6926 174.4788 6 F 5.3361 8.9683 127.2579 56.5797 41.6579 174.7770 7 I 4.4847 7.7097 125.6425 59.3273 40.7193 174.2613 8 K 4.5624 9.4425 130.1385 55.4013 33.5149 174.8061 9 C 5.0042 9.3664 129.1772 57.6741 34.0963 172.4020 10 V 4.8620 8.1358 126.9728 61.6092 33.2538 174.3303 11 T 5.0733 8.8326 125.3041 62.4574 69.6465 174.5777 12 V 4.5160 9.1147 119.1008 58.0596 36.4166 174.4404 13 G 3.7375 7.1508 106.7152 43.1953 0.0000 173.0233 14 D 4.8747 8.6843 120.4361 54.2124 41.4181 177.0426 15 G 3.6975 8.7066 110.3952 47.4051 0.0000 173.7228 16 A 3.8442 8.8147 123.7400 52.1952 16.4658 179.4220 17 V 3.6979 7.3334 109.2364 63.3971 31.8840 176.6991 18 G 4.0481 8.5980 109.0177 45.6656 0.0000 175.8335 19 K 3.8713 8.5766 121.6056 59.6734 31.9422 179.1930 20 T 3.9561 7.7771 115.2069 66.8778 68.4824 176.4858 21 C 4.0132 8.0095 118.1307 62.9825 28.1517 175.7304 22 M 4.4401 8.1146 121.6828 57.9626 31.5891 178.9143 23 L 3.5908 7.5248 118.5208 57.4622 41.5871 179.6193 24 I 3.1947 7.3379 119.9129 64.1296 36.9488 177.9307 25 C 4.2574 8.3531 121.1276 62.0817 31.2062 174.9177 26 Y 4.1271 8.0477 120.1660 61.0454 38.4365 177.9027 27 T 3.7062 7.4236 109.2662 63.2532 69.1910 175.8575 28 S 4.5582 7.9420 114.2831 56.8463 64.3065 174.1525 29 N 4.4340 8.3443 120.9287 54.4995 36.4618 174.5074 30 K 4.6763 7.6548 118.5094 52.6265 35.6354 178.1774 31 F 4.8649 8.6886 124.6237 55.2954 40.4152 173.8044 32 P 4.2614 0.0000 0.0000 62.9297 31.6918 176.0407 33 T 4.3966 8.3555 110.9442 61.4934 72.1788 174.9128 34 D 4.4435 8.3228 118.2990 53.4255 38.8056 177.8039 35 Y 4.2208 9.2417 114.2623 57.0119 40.0526 173.5454 36 I 4.1411 7.4149 127.2793 58.3331 40.0479 173.7044 37 P 4.1359 0.0000 0.0000 62.3740 32.1549 176.3447 38 T 4.0086 8.6364 117.2312 66.2884 68.4535 174.6942 39 V 4.6195 7.3887 117.9618 60.3583 34.3161 174.7657 40 F 4.4053 9.5625 129.6831 57.9675 39.8453 174.4744 41 D 4.1791 7.8881 125.8911 54.5250 41.0928 176.2160 42 N 4.1485 8.3995 121.1985 54.2793 39.3906 173.6914 43 F 4.8187 8.5618 127.4102 56.5635 43.2917 173.1577 44 S 5.0539 7.5788 118.3242 56.8763 65.5164 172.5444 45 A 4.5037 8.5640 125.8743 50.7148 22.9209 175.2694 46 N 5.0079 8.6940 117.8095 53.5139 39.5875 175.2544 47 V 4.6292 8.9985 115.4586 59.6008 36.4352 174.1663 48 A 4.6151 8.6825 125.9761 51.3251 19.3780 175.7064 49 V 4.2152 9.0903 115.1545 61.3803 34.3054 176.0692 50 D 4.7508 7.3082 118.8704 54.6439 44.4419 176.6047 51 G 3.9770 8.0385 110.9504 46.0327 0.0000 172.7556 52 Q 4.7735 7.7381 118.0293 53.9315 33.4892 173.9534 53 I 4.9565 8.3566 121.1707 59.7975 39.4421 175.5321 54 V 4.5072 8.7195 119.5531 59.4785 35.9499 174.6612 55 N 4.9484 9.3136 122.2443 52.4416 39.7505 173.2240 56 L 4.5459 8.9234 130.1117 53.8730 44.0070 175.2573 57 G 4.6541 8.8828 114.2578 44.6754 0.0000 171.9463 58 L 5.4674 9.2390 126.7821 53.0479 44.0442 175.5595 59 W 4.7338 9.3816 124.3331 54.9911 31.3970 175.0334 60 D 5.2523 8.9529 124.9518 53.8125 41.9704 175.0471 61 T 5.0774 8.4271 110.9780 60.0696 72.8429 172.5075 62 A 4.7592 8.5627 123.8234 49.9634 22.3019 176.5102 63 G 4.0365 8.8660 110.2829 46.2485 0.0000 172.9316 64 Q 4.4822 8.1403 119.0188 53.5912 32.5666 175.5847 65 E 3.8535 8.7831 123.3447 56.8131 28.4752 177.0917 66 D 4.4771 7.6613 122.4547 52.0644 41.3297 172.0864 67 Y 4.6693 8.4393 122.1594 56.8082 38.2129 178.2627 68 S 4.2370 8.0199 116.7666 59.3547 63.3286 172.4868 69 R 3.7385 7.0702 123.1612 55.7311 27.8336 172.0514 *72 P 3.8896 0.0000 0.0000 61.1505 33.0400 177.7379 73 L 3.9871 8.4318 122.5842 57.8912 41.7789 179.7106 74 S 4.3338 8.0319 111.8922 61.2869 63.2333 175.0449 75 Y 4.4086 8.1775 118.7389 60.0726 37.9930 175.8780 76 R 4.0996 7.7463 119.8813 57.7384 30.2280 177.0259 77 G 3.7894 8.9626 110.7306 44.9704 0.0000 173.0601 78 A 3.7045 7.4610 123.2355 52.3652 18.5546 177.6907 79 D 4.5965 8.3923 123.0605 56.1483 42.1395 176.9144 80 I 4.4362 7.0560 115.9770 59.9502 41.5611 172.9831 81 F 5.1937 8.9688 127.2104 55.8582 41.7500 174.9802 82 V 4.4835 8.5716 123.1487 61.5334 32.9111 174.4951 83 L 4.8510 8.8552 132.0235 53.5455 43.3038 174.6956 84 A 5.1411 8.7330 129.8303 50.5183 21.0748 175.6688 85 F 5.1192 8.5324 115.7852 55.0421 42.3296 173.5585 86 S 5.1806 8.8542 114.9120 56.7619 63.1572 175.1395 87 L 4.4406 8.7150 127.0561 56.6080 41.4773 177.6927 88 I 4.2932 7.5460 110.2491 60.2132 38.2660 176.0200 89 S 4.6254 8.0262 116.7383 56.4059 63.3363 173.8307 90 K 3.8714 8.7236 129.5438 59.5411 31.8185 178.7539 91 A 4.0790 8.0977 120.5183 55.2602 18.1824 179.6393 92 S 4.9656 7.9815 112.9559 61.2635 63.4139 175.8650 93 Y 3.7241 8.1267 122.8536 60.5794 38.6093 177.9065 94 E 4.1032 8.8234 119.8702 59.5790 29.5283 179.0573 95 N 4.4779 8.7875 116.4016 55.4712 38.4539 177.5712 96 V 3.8646 7.6107 120.0763 65.9661 31.3628 178.0249 97 L 3.9347 7.6266 117.0760 57.8069 41.7703 179.0788 98 K 4.1542 8.0184 116.9356 57.9318 32.3261 176.8042 99 K 4.1869 7.6381 116.6302 57.5341 34.5342 177.9326 100 W 4.3078 8.3140 118.4433 59.9928 29.0649 178.7059 101 M 4.0509 8.4405 118.9728 57.9833 31.4313 176.8843 102 P 4.1951 0.0000 0.0000 65.6210 31.4463 178.2238 103 E 3.9402 8.0869 117.9165 59.4340 29.5636 178.9286 104 L 4.0378 8.2922 119.1324 57.5257 41.3911 179.6811 105 R 3.8972 7.9053 117.7002 59.0378 30.0432 178.7844 106 R 3.8222 7.6324 117.4336 59.2251 30.2028 177.9342 107 F 4.9518 8.0677 114.8051 58.1478 41.0955 176.4407 108 A 4.8916 8.4235 122.2379 49.8218 19.4196 175.0266 109 P 4.2494 0.0000 0.0000 65.3844 31.6619 177.6611 110 N 4.7802 8.0757 112.5726 52.6103 38.8671 174.1347 111 V 4.2745 7.5098 119.6039 61.1620 32.5315 174.3141 112 P 4.7062 0.0000 0.0000 62.8486 33.2611 174.8693 113 I 5.1450 8.1313 119.4650 59.5811 41.4295 174.5916 114 V 4.4504 8.9130 126.9321 61.1033 33.2529 174.2682 115 L 4.7855 8.6930 131.2678 54.5982 43.5661 175.4579 116 V 4.5558 8.9216 126.1249 60.9806 34.6547 174.1722 117 G 3.3987 8.4799 116.0777 45.1075 0.0000 173.4618 118 T 4.6356 8.3289 116.8632 59.7868 72.2199 174.3678 119 K 3.7575 8.3143 117.0393 57.3350 29.4054 178.0518 120 L 3.8992 7.9377 122.4913 58.2789 41.7791 177.3127 121 D 4.2506 7.8998 117.8288 55.9969 39.4245 178.3005 122 L 4.0075 7.6433 120.3580 57.3249 41.7007 178.8800 123 R 3.5506 7.6285 116.9600 59.4589 29.9636 176.9302 124 D 4.5788 8.1281 114.8623 55.0789 41.4058 176.6659 125 D 4.4602 7.9426 120.8839 54.0269 42.3301 176.8681 126 K 4.1398 8.8408 126.7433 59.2434 31.9556 179.3926 127 G 3.7356 8.2076 104.9999 48.0630 0.0000 174.4364 128 Y 4.3015 8.2739 122.3121 60.4018 38.6552 178.1497 129 L 3.8649 8.2788 119.6231 57.8726 41.5486 179.4797 130 A 4.0072 8.3813 119.6723 54.2806 18.3365 178.2833 131 D 4.6562 7.5354 114.6926 53.4322 41.9340 175.8605 132 H 4.7037 7.1684 116.8867 54.1327 31.5585 173.6226 133 T 4.2144 8.4005 117.0594 63.1130 68.2802 174.0692 134 N 4.9918 7.5576 118.9663 52.2820 39.0292 174.4982 135 V 3.6915 7.6126 117.6782 62.8454 32.5505 175.5822 136 I 4.2272 8.5044 126.8735 61.2148 36.0114 176.5169 137 T 4.4136 8.0741 116.7659 60.7475 71.3889 175.4689 138 S 5.0074 8.5491 118.5163 61.5710 62.6855 177.0676 139 T 3.8627 7.9668 117.8939 66.9322 68.1582 176.4179 140 Q 4.2649 8.1698 119.9442 58.8251 28.6507 179.2321 141 G 3.4733 8.1733 108.1331 47.1719 0.0000 175.4366 142 E 3.6982 8.3889 122.3837 58.8024 29.6271 178.6801 143 E 3.9294 8.4045 119.0210 59.1366 29.5006 179.1173 144 L 3.7006 7.7973 120.3284 58.0308 42.1248 178.6928 145 R 3.8266 7.5908 118.6894 59.4981 29.8517 178.2839 146 K 3.8995 7.9383 119.0279 59.7158 32.0260 178.8304 147 Q 4.0131 7.9187 117.2777 58.3526 28.7219 177.9365 148 I 4.1866 7.6827 111.3748 60.1817 38.1960 176.1482 149 G 3.7778 7.6599 108.0290 46.4980 0.0000 174.0011 150 A 4.2027 7.7734 121.4635 51.3627 19.0212 178.7860 151 A 4.2973 8.7668 122.7230 54.9074 19.1601 177.7548 152 A 4.6558 7.6880 114.5338 51.2140 23.0205 174.6137 153 Y 5.4417 8.5515 119.6393 55.9748 42.3216 174.3482 154 I 4.3670 8.3026 126.1022 59.4140 41.9068 173.9066 155 E 4.8800 8.1926 125.2727 54.9536 31.7267 174.7559 156 C 5.1980 8.8520 117.9756 56.8170 34.3728 172.7190 157 S 4.6193 8.6045 113.2987 56.6562 64.6238 175.0647 158 S 4.1821 8.7670 123.7929 61.2623 63.2497 176.6609 159 K 2.4800 7.6014 120.8565 58.8013 31.8277 177.5521 160 T 4.1100 7.4102 105.7320 61.2768 69.7014 175.6233 161 Q 3.8141 8.0011 120.8923 55.7521 27.6639 173.1244 162 Q 4.0896 7.6350 118.2571 57.4217 28.8045 176.9742 163 N 4.1824 9.0288 118.4722 54.0612 36.8544 176.3327 164 V 3.4669 7.7016 119.0639 65.9562 31.5398 177.7621 165 K 4.1702 8.2357 118.6905 59.8058 31.9464 178.0573 166 A 3.9201 7.5315 120.7536 55.1802 18.1323 179.7365 167 V 3.1641 7.3765 116.4396 66.2646 31.5653 178.2784 168 F 3.9473 7.4431 116.5091 59.8426 38.8755 177.5874 169 D 4.4255 8.2921 118.9507 57.7828 40.6138 179.0074 170 T 3.8305 8.1083 116.1083 66.3569 68.4414 176.4857 171 A 3.9236 7.8598 122.7177 55.3419 18.3262 179.8525 172 I 3.6623 7.8257 118.0503 64.5197 37.1833 178.8743 173 K 3.9541 8.1511 119.3696 59.2633 31.5976 179.4487 174 V 3.5533 7.9379 118.1493 66.1169 31.5092 177.9783 175 V 3.7132 7.3336 115.9314 66.0685 31.4592 177.6753 176 L 4.1630 7.9302 117.6638 56.5360 41.8627 177.8107 177 Q 4.3053 7.7123 117.0162 54.2638 29.6756 174.2489 178 P 4.4146 0.0000 0.0000 63.3305 31.3519 176.3840 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 S 8.33 4.35 0.00 3.98 3.95 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 0 H 8.28 4.62 0.00 3.22 3.29 0.00 5.74 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.34 4.40 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 2 S 8.65 4.20 0.00 3.91 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 3 V 7.74 4.29 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 0.90 0.00 0.00 0.95 0.00 0.00 4 S 8.75 4.72 0.00 4.00 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 5 K 7.95 4.67 0.00 1.73 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 6 F 8.97 5.34 0.00 2.99 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 7 I 7.71 4.48 1.71 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.58 0.82 0.00 0.00 8 K 9.44 4.56 0.00 1.73 1.62 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 0.78 7.81 9 C 9.37 5.00 0.00 2.97 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 10 V 8.14 4.86 1.51 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 1.10 0.00 0.00 0.66 0.00 0.00 11 T 8.83 5.07 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 1.27 0.00 0.00 12 V 9.11 4.52 1.51 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 1.02 0.00 0.00 0.65 0.00 0.00 13 G 7.15 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 14 D 8.68 4.87 0.00 3.00 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 15 G 8.71 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 16 A 8.81 3.84 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.33 3.70 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 0.80 0.00 0.00 0.97 0.00 0.00 18 G 8.60 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 19 K 8.58 3.87 0.00 1.81 1.88 0.00 1.60 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 20 T 7.78 3.96 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 1.27 0.00 0.00 21 C 8.01 4.01 0.00 3.04 3.17 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 22 M 8.11 4.44 0.00 2.20 2.33 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 2.74 2.44 0.00 23 L 7.52 3.59 0.00 1.11 0.70 0.96 1.06 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 24 I 7.34 3.19 1.70 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 1.43 0.48 0.88 0.00 0.00 25 C 8.35 4.26 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.05 4.13 0.00 2.85 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 27 T 7.42 3.71 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 0.27 0.00 0.00 28 S 7.94 4.56 0.00 3.98 3.95 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 29 N 8.34 4.43 0.00 2.87 2.94 0.00 0.00 6.58 7.33 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 30 K 7.65 4.68 0.00 1.60 1.59 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.21 7.81 31 F 8.69 4.86 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.26 0.00 1.95 1.88 0.00 3.07 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 1.52 1.72 0.00 33 T 8.36 4.40 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 1.31 0.00 0.00 34 D 8.32 4.44 0.00 2.83 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 35 Y 9.24 4.22 0.00 2.90 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 36 I 7.41 4.14 1.64 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 1.21 0.74 0.74 0.00 0.00 37 P 0.00 4.14 0.00 2.39 2.12 0.00 3.60 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 38 T 8.64 4.01 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 1.24 0.00 0.00 39 V 7.39 4.62 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 0.90 0.00 0.00 1.01 0.00 0.00 40 F 9.56 4.41 0.00 2.90 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 41 D 7.89 4.18 0.00 2.13 2.35 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 42 N 8.40 4.15 0.00 2.26 2.42 0.00 0.00 6.73 7.02 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 43 F 8.56 4.82 0.00 2.91 2.83 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.74 4.77 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 53 I 8.36 4.96 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 1.36 0.61 0.93 0.00 0.00 54 V 8.72 4.51 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 0.75 0.00 0.00 1.02 0.00 0.00 55 N 9.31 4.95 0.00 2.93 3.10 0.00 0.00 7.12 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.92 4.55 0.00 1.85 1.75 0.97 1.31 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 57 G 8.88 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 9.24 5.47 0.00 1.86 1.71 0.75 0.49 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 59 W 9.38 4.73 0.00 3.28 3.07 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 60 D 8.95 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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 69 R 7.07 3.74 0.00 2.17 2.10 0.00 3.32 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 *72 P 0.00 3.89 0.00 1.09 1.59 0.00 2.28 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.58 0.00 73 L 8.43 3.99 0.00 1.75 1.77 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.03 4.33 0.00 4.29 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 0.00 75 Y 8.18 4.41 0.00 3.19 3.23 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 76 R 7.75 4.10 0.00 1.88 1.86 0.00 3.18 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 77 G 8.96 3.79 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 0.00 0.00 0.00 78 A 7.46 3.70 0.69 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 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4.44 0.00 1.71 1.74 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.55 4.29 1.68 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.60 0.15 0.00 0.00 89 S 8.03 4.63 0.00 3.97 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 90 K 8.72 3.87 0.00 1.95 2.05 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.54 1.10 7.81 91 A 8.10 4.08 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 92 S 7.98 4.97 0.00 4.27 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 0.00 93 Y 8.13 3.72 0.00 2.95 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 94 E 8.82 4.10 0.00 2.21 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 2.42 2.62 0.00 95 N 8.79 4.48 0.00 3.16 2.95 0.00 0.00 6.59 7.22 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 96 V 7.61 3.86 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 1.03 0.00 0.00 1.01 0.00 0.00 97 L 7.63 3.93 0.00 1.79 1.67 0.88 0.86 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 98 K 8.02 4.15 0.00 1.70 1.82 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 99 K 7.64 4.19 0.00 1.43 1.19 0.00 0.61 0.00 0.00 0.67 0.00 0.00 2.63 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.62 0.99 7.81 100 W 8.31 4.31 0.00 3.44 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 0.00 101 M 8.44 4.05 0.00 1.99 2.19 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 2.59 2.82 0.00 102 P 0.00 4.20 0.00 2.19 2.05 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 103 E 8.09 3.94 0.00 2.16 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 0.00 2.81 2.95 0.00 104 L 8.29 4.04 0.00 1.63 1.47 0.65 -0.14 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 0.00 105 R 7.91 3.90 0.00 1.93 1.95 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 106 R 7.63 3.82 0.00 1.61 1.53 0.00 2.27 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.30 0.00 107 F 8.07 4.95 0.00 3.41 3.21 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 0.00 108 A 8.42 4.89 1.47 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 0.00 0.00 0.00 109 P 0.00 4.25 0.00 2.20 2.34 0.00 3.84 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 2.04 2.04 0.00 110 N 8.08 4.78 0.00 2.75 2.89 0.00 0.00 6.79 7.68 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 0.00 111 V 7.51 4.27 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 0.79 0.00 0.00 1.10 0.00 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1.56 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.90 4.25 0.00 2.76 2.67 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 0.00 122 L 7.64 4.01 0.00 1.58 1.39 0.82 0.47 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 0.00 123 R 7.63 3.55 0.00 1.64 1.92 0.00 3.50 0.00 0.00 3.49 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 124 D 8.13 4.58 0.00 2.80 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 0.00 125 D 7.94 4.46 0.00 2.99 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 0.00 126 K 8.84 4.14 0.00 1.86 1.86 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.53 7.81 127 G 8.21 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 0.00 128 Y 8.27 4.30 0.00 3.11 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 0.00 129 L 8.28 3.86 0.00 1.94 1.73 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.38 4.01 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 0.00 131 D 7.54 4.66 0.00 2.55 2.51 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 0.00 132 H 7.17 4.70 0.00 2.51 2.95 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.40 4.21 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 134 N 7.56 4.99 0.00 2.63 2.65 0.00 0.00 6.94 7.71 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 0.00 135 V 7.61 3.69 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 1.01 0.00 0.00 0.93 0.00 0.00 136 I 8.50 4.23 2.21 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.67 1.11 0.00 0.00 137 T 8.07 4.41 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 1.30 0.00 0.00 138 S 8.55 5.01 0.00 3.99 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.86 4.26 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 1.25 0.00 0.00 140 Q 8.17 4.26 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 141 G 8.17 3.47 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 0.00 0.00 0.00 0.00 142 E 8.39 3.70 0.00 2.05 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 2.31 2.37 0.00 143 E 8.40 3.93 0.00 2.20 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 2.32 2.63 0.00 144 L 7.80 3.70 0.00 1.36 1.46 0.41 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.59 3.83 0.00 1.87 2.03 0.00 3.28 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 146 K 7.94 3.90 0.00 1.85 1.90 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 147 Q 7.92 4.01 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 148 I 7.68 4.19 1.83 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 1.59 0.61 0.82 0.00 0.00 149 G 7.66 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 0.00 150 A 7.77 4.20 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 0.00 151 A 8.77 4.30 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 0.00 152 A 7.69 4.66 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 0.00 153 Y 8.55 5.44 0.00 3.02 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 0.00 154 I 8.30 4.37 1.60 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.53 0.70 0.00 0.00 155 E 8.19 4.88 0.00 1.73 1.69 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 2.07 1.73 0.00 156 C 8.85 5.20 0.00 2.97 2.81 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 0.00 157 S 8.60 4.62 0.00 3.87 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.77 4.18 0.00 4.01 4.12 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 0.00 159 K 7.60 2.48 0.00 0.86 1.40 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.08 0.70 7.81 160 T 7.41 4.11 4.16 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 1.10 0.00 0.00 161 Q 8.00 3.81 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 162 Q 7.64 4.09 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.95 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 163 N 9.03 4.18 0.00 2.91 2.82 0.00 0.00 6.76 7.68 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 0.00 164 V 7.70 3.47 2.15 0.00 0.00 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 0.95 0.00 0.00 165 K 8.24 4.17 0.00 1.99 1.88 0.00 1.85 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.82 1.79 7.81 166 A 7.53 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 0.00 167 V 7.38 3.16 1.55 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 0.05 0.00 0.00 0.70 0.00 0.00 168 F 7.44 3.95 0.00 2.07 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 0.00 0.00 0.00 0.00 169 D 8.29 4.43 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 0.00 170 T 8.11 3.83 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 1.15 0.00 0.00 171 A 7.86 3.92 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 0.00 172 I 7.83 3.66 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.78 0.92 0.00 0.00 173 K 8.15 3.95 0.00 1.98 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.61 7.81 174 V 7.94 3.55 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 0.78 0.00 0.00 0.94 0.00 0.00 175 V 7.33 3.71 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 0.87 0.00 0.00 0.92 0.00 0.00 176 L 7.93 4.16 0.00 1.66 1.71 0.93 0.84 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 0.00 177 Q 7.71 4.31 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 178 P 0.00 4.41 0.00 2.03 2.00 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 2.04 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.