NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1445 8.2644 123.5825 52.1702 19.9668 175.6030 *2 T 3.9932 8.0223 113.0584 62.2020 68.1736 172.7252 3 T 4.6461 8.0221 120.8368 60.8432 69.4208 174.1716 4 Y 4.5539 8.1904 123.5182 56.5144 38.0219 174.4711 5 T 4.2022 7.7046 117.1898 62.3940 70.0391 175.1500 6 S 4.2072 8.7394 121.4954 58.3444 63.0298 175.0297 7 I 3.8295 8.4808 121.0477 63.5298 37.3090 177.9876 8 A 3.9800 7.7642 123.4344 55.3084 18.1281 179.3535 9 N 4.2862 8.2065 114.8128 56.3946 38.6062 177.7093 10 V 3.6997 7.8063 119.0684 66.2050 31.4504 177.7136 11 I 3.6102 7.5961 118.0255 64.5463 37.0838 178.2346 12 K 4.0878 7.9399 117.1619 58.3572 32.0579 178.4503 13 E 4.2100 7.7154 117.7782 56.4218 30.2769 176.8012 14 R 2.0000 6.6652 118.2623 56.0839 30.3554 175.5438 15 R 4.4065 6.0792 122.3855 53.7656 33.6998 175.3537 16 S 4.3848 8.5353 117.5616 58.7393 63.2361 173.9100 17 V 4.2205 8.1875 125.3096 61.1237 33.0883 175.2895 18 R 4.4359 8.2523 123.6090 55.8309 31.6630 175.3432 19 T 4.2891 6.9583 111.8877 59.8344 70.2242 172.6160 20 F 5.2693 8.3713 126.2764 55.5364 42.1609 175.2001 21 T 4.2406 8.5702 114.3609 61.8819 69.2232 173.1854 22 D 4.8159 8.4464 119.7255 54.2484 41.2547 176.2780 23 K 4.1211 7.6169 118.2405 55.5117 32.7597 176.0579 24 A 4.3618 8.3852 127.5500 51.3937 19.4751 177.0009 25 V 4.3280 8.2651 122.9768 61.3529 32.6646 175.5049 26 E 4.2412 8.6957 128.0925 55.5149 31.3124 176.9743 27 K 3.9361 8.6877 126.8142 59.9173 32.3809 178.6984 28 D 4.4181 8.0445 118.5999 56.9053 40.6842 178.3631 29 L 3.9825 7.8497 120.7394 58.1612 42.2218 178.8307 30 L 4.1197 7.7908 118.7723 57.8778 41.5047 179.6227 31 I 3.7948 7.9800 119.9353 64.0025 37.0018 178.0256 32 E 3.9179 8.1983 120.2419 59.3623 29.5509 178.7833 33 L 3.9585 8.2245 119.2556 57.9853 41.4770 179.6509 34 L 4.0854 8.0713 117.6370 57.8193 41.6796 179.0618 35 N 4.5754 8.3304 116.5484 56.4781 38.3857 177.1169 36 D 4.5932 8.2949 120.1150 57.5028 40.6994 178.8097 37 A 4.0247 7.9792 120.4129 54.8425 18.6065 179.2700 38 T 3.5108 7.6888 107.8946 63.4047 68.4663 175.0564 39 W 4.4424 7.7512 121.4182 57.0531 29.2306 176.3826 40 A 4.4006 7.6370 121.2759 50.7215 18.6744 176.8519 41 P 4.5717 0.0000 0.0000 63.1113 32.2414 176.0205 42 N 4.8214 8.4330 116.7615 51.9647 39.8727 173.3657 43 H 4.3904 8.9182 123.4780 57.1889 30.5414 175.0921 44 K 3.7901 9.0534 123.3826 56.7551 29.7133 174.5988 45 H 4.1296 7.8665 115.9039 57.3819 28.4135 176.0128 46 R 3.7807 7.6493 117.5503 56.8139 30.6058 177.0077 47 E 2.0000 7.8396 117.5322 56.1355 26.9678 174.1981 48 P 4.0258 0.0000 0.0000 63.9091 32.3110 177.6721 49 W 4.1895 5.6347 116.1045 56.3332 28.8917 175.0356 50 N 4.9330 8.3379 116.6760 52.1126 42.9072 173.0368 51 C 5.3620 8.2894 116.4069 58.1827 32.7713 173.6390 52 K 4.5590 9.2074 121.1005 54.5226 34.8029 174.7257 53 L 4.9886 8.4054 127.0281 53.6258 43.8490 174.6931 54 Y 4.8268 9.2178 125.1531 56.2899 40.1128 174.9684 55 I 4.8567 8.0086 116.4461 59.1643 41.5798 175.8465 56 G 3.8744 8.4187 113.1469 46.7403 0.0000 177.2661 57 E 4.0616 8.9151 122.5989 58.9175 29.6757 179.1051 58 G 3.8114 8.0168 105.9594 47.8123 0.0000 175.7923 59 R 4.0990 8.0352 119.6848 59.1212 29.9138 179.0893 60 K 4.1217 8.1281 117.9525 58.9256 31.9693 179.5307 61 K 4.0041 8.2887 119.5098 59.1482 31.9035 179.0551 62 L 3.6541 7.7731 120.1338 58.0054 41.9850 178.7967 63 V 3.1990 7.7197 118.1059 66.1285 31.3710 177.5951 64 D 4.2589 8.2907 118.3745 57.3660 40.4553 178.6637 65 A 3.9708 7.7093 119.8982 55.0669 18.6153 179.5414 66 V 3.3135 8.0182 116.9747 66.1891 31.5846 178.3857 67 L 3.5187 7.8199 118.8615 57.5457 41.1726 179.1704 68 N 4.4511 8.0600 115.6183 55.3339 38.5089 176.6587 69 S 4.4644 7.2621 113.9366 58.6383 64.0585 174.6365 70 F 4.9634 7.0746 121.2573 57.0480 39.5880 175.9198 71 T 4.1931 8.7666 114.4631 61.5566 70.6923 175.0927 72 E 3.9935 8.6816 121.5257 59.0127 29.6827 178.6785 73 E 3.8839 8.0438 117.4360 59.5050 29.9608 178.5619 74 E 3.7485 7.7949 120.2851 58.8567 29.4532 179.4794 75 R 4.1531 8.2459 118.2927 59.5039 29.9316 178.4118 76 A 3.9949 7.8278 119.6914 54.8054 18.3883 179.3659 77 K 4.0254 7.7030 117.2071 59.0562 32.7183 178.2448 78 R 4.6193 8.3204 116.5729 55.7977 31.1204 176.9868 79 G 3.8583 8.3417 105.4849 48.9891 0.0000 175.4957 80 K 3.9403 7.9491 121.2788 58.7857 32.5289 178.6610 81 I 3.7037 7.8821 119.7570 64.7161 36.9453 177.8131 82 L 4.0766 8.3882 120.9699 58.1587 41.8907 178.4799 83 S 4.0249 8.2808 113.5009 61.8993 61.9947 176.1316 84 D 4.4414 8.3005 120.3525 57.1562 40.6789 178.5007 85 R 4.1588 8.2443 119.3325 59.6902 30.0003 178.7315 86 F 4.1797 8.7998 116.4309 60.0269 38.9779 176.8225 87 L 4.5559 7.8595 116.6054 55.0511 41.8262 177.2696 88 S 4.8129 7.6306 113.3273 58.0135 63.2760 173.7514 89 T 4.6200 7.8111 117.3598 61.7736 70.2014 171.9336 90 P 4.5114 0.0000 0.0000 65.5052 32.5857 176.3069 91 A 5.0054 7.8074 119.0140 50.4924 23.1285 175.2729 92 Q 4.9262 8.9686 119.2974 54.0295 32.6200 174.9252 93 I 4.9423 8.6817 124.0866 59.4519 40.1321 174.9037 94 V 4.3853 8.9059 129.0578 62.4134 32.7425 174.7836 95 V 4.8118 9.0401 129.3270 61.6900 33.5743 174.1327 96 Y 5.9240 8.1401 125.8830 54.9178 41.7100 172.9264 *98 N 4.9048 8.6532 115.0926 53.6320 39.9150 173.9337 99 E 4.3102 9.1584 125.9740 55.0377 30.1756 175.6680 100 D 4.4990 8.6958 127.8242 53.2940 41.8985 174.5224 101 P 4.3827 0.0000 0.0000 64.6799 31.8309 176.2833 102 R 4.5005 8.2645 119.6460 54.5895 31.7245 176.4613 103 Q 3.9538 8.8264 123.8478 59.6666 28.9230 178.9743 104 I 3.7130 7.6741 119.8345 64.6486 37.2334 178.4521 105 Q 4.1506 8.0059 118.3538 58.8148 28.5180 178.5885 106 R 3.9151 8.2552 119.9601 59.4135 30.1379 178.2719 107 D 4.4316 8.5778 119.1004 57.4731 40.8617 178.4115 108 E 4.0208 8.4431 119.2443 59.8077 29.4489 179.3447 109 D 4.3608 8.3355 118.6740 57.4647 40.8328 178.2566 110 Y 4.0772 8.5380 120.1216 60.5578 38.7820 177.5743 111 A 4.0489 8.6681 122.0043 55.5072 18.4516 179.4480 112 A 4.2495 8.2605 118.8946 55.8839 18.2548 180.0565 113 T 4.1611 8.1764 113.6179 66.9825 68.5737 176.5690 114 C 4.4690 8.3550 118.2744 62.6261 28.3399 175.6606 115 A 4.2669 8.4226 122.7118 55.0187 17.9185 179.6979 116 F 3.8223 8.1026 115.4676 59.4960 39.2818 176.3445 *118 Q 4.3161 7.9679 119.4815 55.9887 30.8062 176.5996 119 N 4.2372 8.4286 115.6531 56.5607 38.4958 176.9535 120 F 3.7635 7.9724 121.6121 61.3946 39.4018 177.1494 121 Q 4.0072 8.0399 117.0748 58.7720 28.6469 178.6951 122 L 3.9926 7.9564 119.9372 57.8309 41.7819 179.1799 123 L 3.8690 8.0343 119.0467 57.9590 41.6129 179.7066 124 A 3.7152 7.8209 120.6495 54.7846 18.2730 179.2582 125 W 4.3092 8.2131 128.2892 60.0808 30.4634 177.6911 126 E 4.0107 8.0493 117.9138 58.9102 29.1030 178.0423 127 R 4.3791 7.2948 114.8011 55.6454 30.4003 177.3653 128 G 3.7249 7.6632 107.2093 45.1035 0.0000 173.6018 129 L 4.1265 7.7131 121.0130 54.0452 42.9298 176.7162 130 G 4.5025 9.2241 111.4371 45.7449 0.0000 172.1049 131 C 6.1464 8.3397 113.3780 58.3392 33.1323 172.8383 132 V 4.8164 8.5511 112.6638 59.3829 34.8441 174.6116 133 W 5.0285 9.0126 134.7992 56.4889 31.3888 175.2339 134 K 4.7549 9.5471 127.8496 55.1591 33.8805 176.0708 135 S 4.8586 8.6808 118.4838 57.8000 64.3600 171.8660 136 G 3.9289 9.2703 103.8382 44.3320 0.0000 174.4841 137 G 3.8048 8.7886 106.6761 48.1090 0.0000 175.7165 138 L 4.0035 8.2181 121.9126 58.2748 42.1371 178.4861 139 N 4.7615 8.0986 114.1782 55.3878 38.4999 175.6711 140 Y 4.7587 7.8763 114.2759 56.7210 39.2437 175.5805 141 N 4.6305 7.9811 120.1213 52.5590 39.8422 173.5489 142 P 4.3579 0.0000 0.0000 65.7865 31.3763 178.4413 143 L 4.0028 8.3095 119.2436 57.6510 41.5265 179.1445 144 F 4.2309 8.3340 120.1577 61.2556 39.4848 177.1232 145 I 3.3990 7.8628 119.4785 64.2949 36.8253 178.1169 146 E 4.1651 7.6468 121.6115 58.6178 29.2706 178.7668 147 G 3.6930 7.8118 105.0535 47.2487 0.0000 174.5055 148 I 4.2778 7.2281 112.3276 60.1834 37.8727 176.3117 149 G 3.7806 7.9015 107.7801 46.1024 0.0000 173.7453 150 L 4.3326 7.5791 119.5866 53.3020 42.5514 176.8124 151 T 4.3340 9.1911 113.1783 60.1005 70.3126 174.2671 152 R 3.8437 8.1687 121.7813 57.5079 30.7306 176.0935 153 G 3.9227 8.8587 109.9102 46.0951 0.0000 172.5082 154 Q 4.8859 7.6560 117.6200 53.6643 31.0000 175.0537 155 R 4.4534 8.5173 122.8508 54.6312 31.7279 174.8493 156 I 4.5855 8.0659 125.8243 60.1461 37.6191 175.6933 157 V 4.0882 8.8047 127.4471 65.6675 32.1391 176.2218 158 G 4.2266 7.5996 104.2371 45.7753 0.0000 172.4253 159 I 5.0634 8.3327 121.9615 59.3648 39.7831 174.8133 160 L 4.9676 8.9706 128.4610 54.0153 43.3326 175.3785 161 H 5.1594 9.4769 121.7930 54.2263 30.8671 174.0561 162 I 4.8150 8.2027 123.2173 59.0417 41.7402 174.8595 163 G 3.5850 7.7663 112.4403 46.0152 0.0000 171.7345 164 Y 4.9852 7.7757 117.3804 57.9264 39.1425 175.4787 165 F 5.3039 8.1081 115.1606 55.2020 40.5794 173.2462 166 D 4.4406 8.3462 120.9753 54.6867 41.7724 175.5792 167 K 4.7182 7.7263 118.9187 54.4279 35.3753 175.9687 168 A 4.2940 8.8618 125.5097 51.3958 18.9733 175.7229 169 P 4.4499 0.0000 0.0000 62.4373 32.0967 176.1799 170 E 4.1693 8.4394 119.5911 56.0626 30.0538 177.3886 171 G 3.8123 8.3052 110.9376 44.9343 0.0000 172.7605 172 K 4.3727 8.1315 119.4730 53.7127 34.1864 175.4553 173 A 3.9400 8.7414 128.6204 53.0273 18.6490 177.1512 174 R 4.2970 8.2324 120.8748 55.4678 31.2946 176.5113 175 T 4.0485 8.1705 117.2051 62.4992 69.1734 173.1191 176 P 4.1874 0.0000 0.0000 62.9265 32.0469 176.8225 177 I 3.6210 8.7181 123.6261 64.3559 37.8801 177.5238 178 T 4.1783 7.9101 108.7984 63.9914 68.4559 174.4522 179 E 4.3200 8.2112 120.3224 56.9823 30.1672 176.4678 180 K 4.5002 8.0139 118.9985 55.4783 32.7378 175.8552 *182 E 4.0504 7.9215 117.6784 56.0343 30.7706 174.2300 183 I 4.3215 8.2590 125.5027 59.6028 38.8675 175.3151 184 I 4.3115 8.3139 126.6152 59.9949 37.3740 174.9908 185 E 4.5500 8.3106 123.4100 55.9990 30.7475 176.8890 186 G 4.2792 7.6574 113.2022 45.2948 0.0000 173.7661 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 0 A 8.26 4.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 T 8.02 3.99 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 1.23 0.00 0.00 3 T 8.02 4.65 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 1.16 0.00 0.00 4 Y 8.19 4.55 0.00 2.94 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 5 T 7.70 4.20 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 1.26 0.00 0.00 6 S 8.74 4.21 0.00 3.88 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 7 I 8.48 3.83 1.88 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 1.58 0.77 0.92 0.00 0.00 8 A 7.76 3.98 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 9 N 8.21 4.29 0.00 2.97 2.93 0.00 0.00 6.63 7.11 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 10 V 7.81 3.70 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 1.28 0.00 0.00 1.03 0.00 0.00 11 I 7.60 3.61 1.98 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 1.50 0.77 0.87 0.00 0.00 12 K 7.94 4.09 0.00 1.71 1.82 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.70 7.81 13 E 7.72 4.21 0.00 2.09 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 0.00 2.34 2.41 0.00 14 R 6.67 2.00 0.00 1.34 1.46 0.00 3.17 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.46 0.00 15 R 6.08 4.41 0.00 1.60 1.61 0.00 3.44 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 16 S 8.54 4.38 0.00 3.82 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 17 V 8.19 4.22 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 0.43 0.00 0.00 0.44 0.00 0.00 18 R 8.25 4.44 0.00 1.68 1.82 0.00 3.16 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 19 T 6.96 4.29 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 1.12 0.00 0.00 20 F 8.37 5.27 0.00 3.11 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 21 T 8.57 4.24 4.30 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 1.28 0.00 0.00 22 D 8.45 4.82 0.00 2.69 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 23 K 7.62 4.12 0.00 1.72 1.82 0.00 1.50 0.00 0.00 0.89 0.00 0.00 2.23 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.31 1.25 7.81 24 A 8.39 4.36 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 25 V 8.27 4.33 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 0.73 0.00 0.00 0.76 0.00 0.00 26 E 8.70 4.24 0.00 2.17 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 2.39 2.44 0.00 27 K 8.69 3.94 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.53 7.81 28 D 8.04 4.42 0.00 2.82 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 29 L 7.85 3.98 0.00 1.78 1.93 0.92 0.74 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 30 L 7.79 4.12 0.00 1.87 1.75 0.91 1.39 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 31 I 7.98 3.79 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 1.42 0.63 0.94 0.00 0.00 32 E 8.20 3.92 0.00 2.15 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 0.00 2.32 2.38 0.00 33 L 8.22 3.96 0.00 1.94 1.45 0.69 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.07 4.09 0.00 1.83 1.83 0.91 0.58 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 35 N 8.33 4.58 0.00 3.08 2.97 0.00 0.00 6.99 8.24 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 36 D 8.29 4.59 0.00 2.89 2.77 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 37 A 7.98 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.69 3.51 4.30 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 1.27 0.00 0.00 39 W 7.75 4.44 0.00 3.47 3.39 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 40 A 7.64 4.40 1.16 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 0.00 0.00 41 P 0.00 4.57 0.00 2.30 2.18 0.00 3.91 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 42 N 8.43 4.82 0.00 2.80 3.11 0.00 0.00 5.82 7.90 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 43 H 8.92 4.39 0.00 3.19 3.23 0.00 5.82 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 44 K 9.05 3.79 0.00 1.86 1.80 0.00 1.90 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.98 1.27 7.81 45 H 7.87 4.13 0.00 3.21 3.29 0.00 5.94 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.65 3.78 0.00 1.61 1.77 0.00 3.28 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 47 E 7.84 2.00 0.00 1.50 1.12 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 1.80 1.68 0.00 48 P 0.00 4.03 0.00 2.03 1.98 0.00 2.62 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.89 0.00 49 W 5.63 4.19 0.00 2.62 2.80 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 0.00 0.00 0.00 50 N 8.34 4.93 0.00 1.44 1.93 0.00 0.00 6.74 7.21 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 51 C 8.29 5.36 0.00 2.76 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 52 K 9.21 4.56 0.00 1.86 1.50 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.53 7.81 53 L 8.41 4.99 0.00 1.55 1.47 0.89 0.88 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 54 Y 9.22 4.83 0.00 2.95 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 55 I 8.01 4.86 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 1.27 1.11 0.91 0.00 0.00 56 G 8.42 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 0.00 0.00 0.00 57 E 8.92 4.06 0.00 2.04 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 0.00 2.43 2.28 0.00 58 G 8.02 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 0.00 0.00 0.00 59 R 8.04 4.10 0.00 2.05 2.13 0.00 3.45 0.00 0.00 3.38 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 60 K 8.13 4.12 0.00 2.02 1.88 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.52 7.81 61 K 8.29 4.00 0.00 2.18 1.98 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.53 7.81 62 L 7.77 3.65 0.00 1.17 1.67 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.72 3.20 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 0.91 0.00 0.00 0.86 0.00 0.00 64 D 8.29 4.26 0.00 2.85 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 65 A 7.71 3.97 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 66 V 8.02 3.31 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.58 0.00 0.00 67 L 7.82 3.52 0.00 1.55 1.59 0.86 0.48 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 68 N 8.06 4.45 0.00 2.72 2.86 0.00 0.00 7.00 7.18 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 69 S 7.26 4.46 0.00 4.09 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 0.00 70 F 7.07 4.96 0.00 3.13 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.77 4.19 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 1.31 0.00 0.00 72 E 8.68 3.99 0.00 2.12 2.00 0.00 0.00 0.00 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 2.44 0.00 73 E 8.04 3.88 0.00 2.21 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 0.00 2.35 2.36 0.00 74 E 7.79 3.75 0.00 1.66 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 75 R 8.25 4.15 0.00 2.15 2.28 0.00 3.17 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 76 A 7.83 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 120 F 7.97 3.76 0.00 2.65 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 0.00 121 Q 8.04 4.01 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 122 L 7.96 3.99 0.00 1.85 1.71 0.92 0.37 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 0.00 123 L 8.03 3.87 0.00 1.50 1.55 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.82 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 W 8.21 4.31 0.00 3.60 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.05 4.01 0.00 2.08 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 0.00 2.29 2.34 0.00 127 R 7.29 4.38 0.00 1.91 1.94 0.00 3.39 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 128 G 7.66 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.71 4.13 0.00 1.67 1.47 0.74 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 130 G 9.22 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.34 6.15 0.00 3.23 3.10 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 0.00 132 V 8.55 4.82 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 0.74 0.00 0.00 1.17 0.00 0.00 133 W 9.01 5.03 0.00 3.46 2.96 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 0.00 134 K 9.55 4.75 0.00 2.06 1.83 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.48 7.81 135 S 8.68 4.86 0.00 3.99 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 0.00 136 G 9.27 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 0.00 137 G 8.79 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.22 4.00 0.00 1.78 1.67 0.33 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.10 4.76 0.00 2.85 2.85 0.00 0.00 6.96 8.01 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 0.00 140 Y 7.88 4.76 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 0.00 141 N 7.98 4.63 0.00 3.10 3.01 0.00 0.00 6.83 7.03 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 0.00 142 P 0.00 4.36 0.00 2.33 2.34 0.00 3.84 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 143 L 8.31 4.00 0.00 2.01 1.80 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.33 4.23 0.00 3.02 3.35 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 0.00 145 I 7.86 3.40 1.84 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 1.40 0.80 0.87 0.00 0.00 146 E 7.65 4.17 0.00 1.97 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 2.25 2.29 0.00 147 G 7.81 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.23 4.28 1.79 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.35 0.43 0.00 0.00 149 G 7.90 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 L 7.58 4.33 0.00 1.65 1.45 0.44 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 151 T 9.19 4.33 4.21 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 1.17 0.00 0.00 152 R 8.17 3.84 0.00 1.79 1.87 0.00 3.33 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 153 G 8.86 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 0.00 154 Q 7.66 4.89 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.53 2.26 0.00 155 R 8.52 4.45 0.00 1.87 1.87 0.00 3.37 0.00 0.00 3.52 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 156 I 8.07 4.59 2.05 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 1.36 0.72 1.06 0.00 0.00 157 V 8.80 4.09 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 0.72 0.00 0.00 1.10 0.00 0.00 158 G 7.60 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 0.00 0.00 0.00 0.00 159 I 8.33 5.06 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 0.89 0.00 0.00 160 L 8.97 4.97 0.00 1.36 1.52 0.38 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 161 H 9.48 5.16 0.00 3.09 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.20 4.82 1.72 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 1.27 0.80 0.91 0.00 0.00 163 G 7.77 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 0.00 164 Y 7.78 4.99 0.00 3.08 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 0.00 165 F 8.11 5.30 0.00 3.11 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 0.00 166 D 8.35 4.44 0.00 2.72 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 0.00 167 K 7.73 4.72 0.00 1.94 1.80 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.38 7.81 168 A 8.86 4.29 1.64 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 0.00 169 P 0.00 4.45 0.00 2.01 1.97 0.00 3.65 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 2.18 2.04 0.00 170 E 8.44 4.17 0.00 1.95 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 2.33 2.26 0.00 171 G 8.31 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 0.00 0.00 0.00 172 K 8.13 4.37 0.00 1.64 1.63 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.31 7.81 173 A 8.74 3.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.23 4.30 0.00 1.79 1.84 0.00 3.34 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 175 T 8.17 4.05 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 0.00 176 P 0.00 4.19 0.00 2.16 2.00 0.00 3.61 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 2.11 2.09 0.00 177 I 8.72 3.62 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 1.47 0.74 0.91 0.00 0.00 178 T 7.91 4.18 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 0.00 179 E 8.21 4.32 0.00 2.06 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 2.27 0.00 180 K 8.01 4.50 0.00 1.74 1.75 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.32 7.81 *182 E 7.92 4.05 0.00 1.95 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 2.19 2.34 0.00 183 I 8.26 4.32 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 1.42 0.76 0.91 0.00 0.00 184 I 8.31 4.31 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 1.42 0.47 0.91 0.00 0.00 185 E 8.31 4.55 0.00 1.92 1.95 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 2.21 2.26 0.00 186 G 7.66 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 * Residues marked with a * may have inaccurate shift predictions.