NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.5812 8.4201 119.2044 53.3938 39.7948 176.7390 5 A 4.1979 6.4795 115.7696 49.5220 19.9691 176.6060 6 Q 4.0446 8.8160 124.3359 56.2399 29.3834 173.4147 7 V 4.5878 8.1222 124.7861 61.1406 34.4470 175.2417 8 R 4.6237 9.1096 126.6310 53.4672 32.3248 173.1490 9 P 4.4946 0.0000 0.0000 61.4480 32.5106 174.7562 10 P 4.4214 0.0000 0.0000 62.7229 31.9224 176.0145 11 L 4.6388 7.9811 120.4155 52.0993 44.1479 174.8202 12 P 3.5238 0.0000 0.0000 61.1200 32.2307 174.1478 13 P 4.4593 0.0000 0.0000 62.8271 31.9352 176.1374 14 F 4.7447 8.6345 121.8764 57.5590 40.2733 174.5842 15 T 4.6733 8.5914 111.2470 59.6989 71.9210 175.2990 16 R 3.0595 8.5561 120.2960 59.3112 30.0029 177.8076 17 E 3.8638 7.9773 118.7769 59.3313 29.6898 178.7909 18 S 4.3342 8.0996 113.9403 61.0327 63.0948 176.3766 19 A 3.4312 7.8371 124.8265 54.9624 18.0653 179.6409 20 I 3.6080 7.5781 118.3276 64.4105 37.0393 178.6034 21 E 3.9201 8.1532 119.5130 59.1693 29.3284 179.1118 22 K 3.7856 8.1125 119.8657 59.6662 32.1156 178.8761 23 I 4.1051 7.9039 119.9649 64.4265 36.9410 178.4072 24 R 3.9025 8.1365 119.5734 59.4758 29.9424 178.5706 25 L 3.9841 8.2187 118.7116 57.6610 41.5228 179.4357 26 A 4.1110 8.0940 120.7621 55.1079 18.3773 179.1902 27 E 4.0127 8.7364 118.3189 59.7198 29.4888 178.7653 28 D 4.5336 8.3805 118.1430 57.2396 41.1733 178.8252 29 G 3.8246 8.2275 106.1413 47.8763 0.0000 175.9511 30 W 4.3923 8.8797 122.1180 59.1677 28.8091 177.7540 31 N 4.9645 8.7307 115.3034 54.6300 37.8348 176.5851 32 S 4.2269 7.9522 115.4792 58.2536 63.6103 174.2314 33 R 2.0000 6.7636 119.9634 56.0169 28.0356 176.1954 34 D 4.5873 6.8884 117.7154 51.7667 42.2779 173.5377 35 P 4.2880 0.0000 0.0000 65.7096 31.2008 177.9782 36 E 3.8512 8.1040 115.8761 59.2829 29.7805 178.1530 37 R 4.0060 8.2091 118.5440 59.6223 30.2419 178.5876 38 V 3.5848 7.8703 118.0910 65.9866 31.4991 178.0928 39 S 4.4159 8.3130 113.8728 61.2664 62.4914 176.1131 40 L 4.1917 7.5815 121.1135 56.5351 41.4315 178.0894 41 A 4.1289 7.7932 119.2903 52.1749 19.0274 176.5248 42 Y 4.6703 7.0919 115.1300 55.5949 40.4696 176.0197 43 T 4.1663 8.3350 112.5713 61.5095 69.7262 175.3174 44 L 4.0390 8.6251 122.5659 57.3134 41.8272 177.8606 45 D 5.2102 7.7191 117.3374 52.9014 39.7317 176.9851 46 T 4.2595 7.7832 113.5147 63.8591 68.4386 172.9571 47 Q 4.9137 9.2435 126.6244 54.0758 31.5188 174.6842 48 W 5.2488 9.4366 123.9337 54.7868 33.6512 174.8270 49 R 4.4404 8.6376 122.1636 54.7404 32.8524 173.4004 50 N 5.0058 8.7583 126.7620 51.3581 41.0448 175.3168 51 R 3.6267 8.9893 128.5779 57.8143 29.4739 177.2440 52 A 4.5686 8.8500 127.5663 52.6970 19.2041 176.3866 53 E 4.8922 7.9242 118.1523 55.9453 32.4368 175.2788 54 F 5.4113 8.8257 119.3975 55.7547 43.1313 174.2863 55 A 4.7209 8.9212 122.0172 50.5549 22.2682 176.3703 56 H 4.8330 9.3451 117.5511 54.8993 30.1106 173.6941 57 N 4.6278 7.3490 116.4588 50.8730 40.5668 174.9792 58 R 3.6843 8.2864 121.2611 59.6455 29.9307 178.2375 59 E 3.8442 8.0332 118.4491 59.3255 29.7289 178.5357 60 E 3.8272 8.7818 118.8414 59.0590 29.4104 179.2062 61 A 3.1087 7.4662 120.9140 54.6353 18.2320 179.5442 62 K 3.6478 8.0860 118.3455 59.4922 32.2182 178.8313 63 A 3.8844 8.0642 121.2338 54.9392 18.2776 179.3459 64 F 3.9405 8.0666 119.0983 61.4511 39.4926 177.3496 65 L 3.1023 7.7534 118.5257 57.6445 41.0522 179.7082 66 T 3.8022 7.4807 114.7768 66.7299 68.5744 176.6248 67 R 3.8915 7.6680 119.9049 58.7626 29.9686 178.8372 68 K 3.2713 7.4446 119.7610 59.1518 31.8420 178.2069 69 W 4.6215 7.2219 114.9114 57.3894 29.2145 177.5047 70 A 4.2798 7.4633 121.0734 53.0644 18.3972 178.1239 71 K 4.0998 7.5743 116.8413 57.7965 33.3283 176.1665 72 E 4.4691 8.0883 121.1316 55.1075 28.9016 175.6667 73 L 4.5428 8.8214 124.6793 54.4625 43.3025 176.7250 74 D 4.7347 8.6981 118.7823 55.5656 38.4112 173.8000 75 Y 4.8514 8.2502 119.1704 58.0335 39.9939 175.3051 76 R 4.8964 9.0186 125.0440 54.4091 34.0028 173.9766 77 L 5.4637 9.6744 125.8725 53.3703 45.4610 175.6550 78 I 4.7218 8.7999 124.3280 59.6691 40.7524 174.5800 79 K 5.1615 9.3063 126.7379 54.9753 34.8825 175.4512 80 E 4.7320 9.0443 122.4550 54.5363 33.4962 174.1603 81 L 4.2396 8.6718 128.5089 55.6410 42.4758 174.9773 82 W 4.8162 9.0334 134.1901 58.4169 32.3891 175.1626 83 A 4.8130 7.8770 118.9074 51.1707 22.2059 174.1642 84 F 5.4046 8.0817 112.8214 56.3352 41.3073 174.7554 85 T 4.3848 9.5630 117.9068 63.6248 73.5618 175.4623 86 D 4.4580 9.3442 129.5876 55.7056 39.8357 174.8839 87 N 5.0541 9.4276 124.7100 53.3248 38.2370 174.2273 88 R 5.5698 8.5787 118.3795 55.0709 33.5619 174.9612 89 I 5.2479 9.0480 121.9269 59.6080 41.8729 173.9491 90 A 4.9048 9.4173 128.0815 50.1326 21.3920 175.5738 91 V 4.6747 8.5621 122.7260 61.0517 34.9105 174.4756 92 R 5.2239 8.9009 126.2095 55.0283 33.0681 174.6385 93 Y 5.4436 8.7441 119.2897 56.7071 42.2062 172.9157 94 A 5.2257 9.1401 120.2822 51.1425 23.2146 174.9424 95 Y 5.7233 8.8606 117.9166 55.7856 42.0462 173.7374 96 E 5.4948 9.3015 121.0383 54.9472 32.8499 174.9057 97 W 5.4729 8.6678 118.5570 56.4230 32.2855 172.5131 98 H 4.8975 8.7605 115.2541 53.6510 31.6938 173.0293 99 D 5.4918 8.5224 120.3182 52.1452 41.9497 176.5360 100 D 4.6525 8.9160 116.2351 55.0332 39.2542 176.7313 101 S 4.4742 8.3296 114.9739 58.3999 63.6603 174.8960 102 G 3.7617 8.3265 109.0506 45.1035 0.0000 172.9554 103 N 4.6347 8.2777 117.8608 51.9881 40.1973 174.7496 104 W 4.8566 8.3494 122.4958 55.9137 31.7379 175.1825 105 F 4.9608 8.6943 119.5012 55.9444 43.4208 173.3652 106 R 4.8884 8.6178 121.1950 54.7145 32.3158 174.6777 107 S 4.9389 9.0046 122.7370 57.0568 65.3556 172.5511 108 Y 4.7808 9.0127 122.5655 56.1942 40.0756 175.1977 109 G 3.7725 8.7619 110.6428 44.1604 0.0000 170.9869 110 N 5.5050 8.8011 117.2701 51.1369 42.3318 173.4892 111 E 5.2960 9.5573 122.2754 54.5116 33.1659 174.4122 112 N 5.3505 9.4064 120.7284 51.3391 41.4405 173.6063 113 W 5.3475 9.2770 123.8271 54.8538 32.7188 174.4442 114 E 5.2121 8.6019 123.2674 54.6862 32.0602 174.3110 115 F 5.3457 9.4328 126.1795 55.8623 41.8739 175.5996 116 D 4.8265 8.9828 122.1021 52.0591 40.9333 177.1967 117 E 4.0049 8.6462 117.7844 59.0534 29.5033 178.1121 118 Q 4.2307 8.3620 116.5099 55.6369 29.1246 177.0274 119 G 4.2777 8.2295 106.0486 46.6469 0.0000 173.8374 120 L 4.8156 7.8742 125.6946 54.4436 40.1079 179.5312 *122 A 4.5196 8.5750 129.6552 52.5803 21.2506 176.1272 123 R 4.9624 7.8428 113.3621 54.5309 35.0692 174.7654 124 R 4.6346 8.5070 122.8139 54.5351 33.3834 173.7191 125 F 5.2043 9.1366 125.4806 55.8228 41.5331 174.1144 126 A 5.2814 9.0652 126.4558 50.1219 22.0652 174.3791 127 C 5.1452 8.9238 119.4990 57.9600 31.5898 173.3992 128 I 5.1075 8.3346 122.9300 59.7377 40.9846 174.1669 129 N 5.0833 9.2465 123.2697 51.8620 42.0411 174.2804 130 D 5.0089 8.4856 122.3726 52.3099 43.6922 173.5486 *132 P 4.1788 0.0000 0.0000 62.9313 32.2795 176.4132 133 I 4.7698 7.9090 115.4305 59.1034 41.0167 175.0203 134 K 4.2513 9.2897 122.9345 55.6712 32.9619 178.0406 135 A 3.4122 8.7356 125.5431 55.3239 18.2970 179.4919 136 Q 4.0862 7.7831 110.6328 57.3750 29.0364 176.2348 137 E 4.2720 7.9270 118.0485 56.3582 30.0974 176.7231 138 R 3.9082 7.0536 119.0676 56.4128 30.4426 176.5725 139 K 4.3794 8.7377 120.8315 56.6316 34.0372 176.6349 140 F 5.1166 8.0666 118.4485 56.6956 39.6083 175.4429 141 H 4.8243 8.5569 119.0196 54.8942 29.5787 173.3972 142 W 4.5200 7.7629 116.5554 55.5569 28.8370 174.0247 143 P 4.2925 0.0000 0.0000 62.6207 31.1125 176.3121 144 L 3.8416 8.5270 122.0992 55.0868 42.3542 176.5176 145 G 3.8252 9.0951 111.9759 44.3756 0.0000 172.5089 146 R 3.8712 8.4195 123.8456 56.1433 30.5927 177.2152 147 R 2.5100 8.0011 125.6227 54.8313 30.8060 174.3934 148 P 4.2875 0.0000 0.0000 62.6144 32.1643 176.7392 149 D 4.3109 8.8307 121.5846 57.7780 40.6587 178.0494 150 D 4.5245 7.8841 114.2907 54.0801 40.0476 175.9030 151 H 4.1371 7.6685 121.3529 55.2197 30.2773 173.1559 152 P 4.3301 0.0000 0.0000 62.8477 31.5884 176.7638 153 G 3.9096 8.0740 108.5948 44.7371 0.0000 173.1161 154 L 4.1672 8.6658 119.8092 58.5386 41.9672 179.4072 155 S 4.3931 8.1945 110.1467 59.7841 62.7005 174.3333 156 E 4.3359 8.0795 126.0565 56.4564 29.5749 175.6967 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 4 N 8.42 4.58 0.00 2.70 2.21 0.00 0.00 6.92 7.08 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 5 A 6.48 4.20 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 6 Q 8.82 4.04 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 7 V 8.12 4.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.98 0.00 0.00 8 R 9.11 4.62 0.00 1.72 1.78 0.00 3.22 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 9 P 0.00 4.49 0.00 2.06 2.03 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 10 P 0.00 4.42 0.00 2.22 2.09 0.00 3.59 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 2.15 2.10 0.00 11 L 7.98 4.64 0.00 1.50 1.45 0.89 1.06 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 12 P 0.00 3.52 0.00 1.94 1.43 0.00 3.60 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 13 P 0.00 4.46 0.00 2.12 2.07 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 14 F 8.63 4.74 0.00 3.06 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.59 4.67 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 1.24 0.00 0.00 16 R 8.56 3.06 0.00 2.03 1.95 0.00 3.28 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 17 E 7.98 3.86 0.00 2.03 1.88 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 2.34 2.33 0.00 18 S 8.10 4.33 0.00 4.17 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 19 A 7.84 3.43 0.88 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 0.00 0.00 20 I 7.58 3.61 1.93 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 1.46 0.81 0.87 0.00 0.00 21 E 8.15 3.92 0.00 2.16 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 2.29 2.45 0.00 22 K 8.11 3.79 0.00 1.69 1.72 0.00 1.33 0.00 0.00 1.55 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.59 1.30 7.81 23 I 7.90 4.11 2.03 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.93 0.00 0.00 24 R 8.14 3.90 0.00 2.01 1.91 0.00 3.21 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 25 L 8.22 3.98 0.00 1.86 1.70 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.09 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 27 E 8.74 4.01 0.00 2.15 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 2.36 2.41 0.00 28 D 8.38 4.53 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 29 G 8.23 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.88 4.39 0.00 3.60 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 31 N 8.73 4.96 0.00 3.15 3.14 0.00 0.00 6.64 7.09 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 32 S 7.95 4.23 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 6.76 2.00 0.00 1.37 0.96 0.00 2.93 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.70 0.00 34 D 6.89 4.59 0.00 2.47 2.41 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 0.00 0.00 0.00 35 P 0.00 4.29 0.00 2.17 2.21 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 36 E 8.10 3.85 0.00 1.90 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 2.27 2.41 0.00 37 R 8.21 4.01 0.00 1.89 2.01 0.00 3.12 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 38 V 7.87 3.58 1.93 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 0.33 0.00 0.00 0.82 0.00 0.00 39 S 8.31 4.42 0.00 4.05 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 0.00 40 L 7.58 4.19 0.00 1.73 1.77 0.91 0.82 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 41 A 7.79 4.13 1.02 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 0.00 0.00 0.00 0.00 0.00 42 Y 7.09 4.67 0.00 3.23 3.09 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 43 T 8.33 4.17 4.41 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 0.00 0.00 1.30 0.00 0.00 44 L 8.63 4.04 0.00 1.74 1.76 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.72 5.21 0.00 2.68 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 46 T 7.78 4.26 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 1.01 0.00 0.00 47 Q 9.24 4.91 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.49 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 48 W 9.44 5.25 0.00 2.88 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 49 R 8.64 4.44 0.00 1.77 1.79 0.00 2.95 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 50 N 8.76 5.01 0.00 2.48 2.06 0.00 0.00 6.80 7.30 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 51 R 8.99 3.63 0.00 1.94 1.00 0.00 3.24 0.00 0.00 3.27 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 52 A 8.85 4.57 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 53 E 7.92 4.89 0.00 1.98 1.68 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 2.28 2.30 0.00 54 F 8.83 5.41 0.00 2.81 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 55 A 8.92 4.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 9.35 4.83 0.00 3.01 3.29 0.00 5.89 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 57 N 7.35 4.63 0.00 3.03 2.84 0.00 0.00 5.80 7.66 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 58 R 8.29 3.68 0.00 2.07 1.94 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 59 E 8.03 3.84 0.00 2.05 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 2.32 2.39 0.00 60 E 8.78 3.83 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.57 0.00 61 A 7.47 3.11 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.09 3.65 0.00 1.74 1.86 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.37 7.81 63 A 8.06 3.88 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 64 F 8.07 3.94 0.00 3.04 3.05 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 65 L 7.75 3.10 0.00 1.64 1.28 0.69 -0.12 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 66 T 7.48 3.80 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 1.15 0.00 0.00 67 R 7.67 3.89 0.00 1.72 1.80 0.00 3.09 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 68 K 7.44 3.27 0.00 0.79 0.74 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.86 7.81 69 W 7.22 4.62 0.00 3.36 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 70 A 7.46 4.28 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 71 K 7.57 4.10 0.00 1.62 1.76 0.00 1.68 0.00 0.00 1.46 0.00 0.00 2.69 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.16 1.44 7.81 72 E 8.09 4.47 0.00 1.84 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 1.47 1.76 0.00 73 L 8.82 4.54 0.00 1.33 1.46 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.70 4.73 0.00 2.93 3.05 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 75 Y 8.25 4.85 0.00 3.25 2.92 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 76 R 9.02 4.90 0.00 1.74 1.08 0.00 2.78 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.40 0.00 77 L 9.67 5.46 0.00 1.40 1.87 1.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.80 4.72 1.78 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.08 0.88 0.00 0.00 79 K 9.31 5.16 0.00 1.62 1.70 0.00 2.03 0.00 0.00 1.81 0.00 0.00 2.63 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.34 7.81 80 E 9.04 4.73 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 81 L 8.67 4.24 0.00 1.65 1.56 1.03 0.99 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 82 W 9.03 4.82 0.00 3.37 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 83 A 7.88 4.81 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 84 F 8.08 5.40 0.00 3.22 2.99 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 85 T 9.56 4.38 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 1.22 0.00 0.00 86 D 9.34 4.46 0.00 2.95 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 9.43 5.05 0.00 3.22 3.08 0.00 0.00 5.75 7.66 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 88 R 8.58 5.57 0.00 2.08 2.02 0.00 3.17 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 89 I 9.05 5.25 2.13 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.02 0.83 0.00 0.00 90 A 9.42 4.90 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 91 V 8.56 4.67 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 0.86 0.00 0.00 -0.39 0.00 0.00 92 R 8.90 5.22 0.00 1.85 1.80 0.00 2.47 0.00 0.00 2.78 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.00 93 Y 8.74 5.44 0.00 3.17 2.95 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 94 A 9.14 5.23 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 95 Y 8.86 5.72 0.00 2.87 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 9.30 5.49 0.00 2.00 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 1.93 1.57 0.00 97 W 8.67 5.47 0.00 3.79 3.52 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 98 H 8.76 4.90 0.00 2.26 1.31 0.00 5.45 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.52 5.49 0.00 2.98 3.22 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 0.00 100 D 8.92 4.65 0.00 2.82 2.87 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 0.00 101 S 8.33 4.47 0.00 4.06 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.33 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 0.00 103 N 8.28 4.63 0.00 2.87 2.41 0.00 0.00 6.96 7.29 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 0.00 104 W 8.35 4.86 0.00 3.25 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 0.00 105 F 8.69 4.96 0.00 1.51 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 0.00 106 R 8.62 4.89 0.00 1.59 1.65 0.00 2.87 0.00 0.00 2.80 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.22 0.00 107 S 9.00 4.94 0.00 2.72 3.24 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 0.00 108 Y 9.01 4.78 0.00 2.81 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 0.00 109 G 8.76 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 0.00 110 N 8.80 5.51 0.00 2.54 2.58 0.00 0.00 6.86 7.25 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 0.00 111 E 9.56 5.30 0.00 2.07 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 0.00 2.26 1.71 0.00 112 N 9.41 5.35 0.00 2.82 2.88 0.00 0.00 6.57 7.29 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 0.00 113 W 9.28 5.35 0.00 3.29 2.28 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 0.00 114 E 8.60 5.21 0.00 2.16 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 2.28 2.39 0.00 115 F 9.43 5.35 0.00 3.19 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.98 4.83 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 0.00 117 E 8.65 4.00 0.00 1.99 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 0.00 2.32 2.35 0.00 118 Q 8.36 4.23 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.70 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 119 G 8.23 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 0.00 120 L 7.87 4.82 0.00 1.98 0.89 0.95 0.67 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 *122 A 8.58 4.52 1.35 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 0.00 0.00 123 R 7.84 4.96 0.00 1.64 1.43 0.00 3.23 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 124 R 8.51 4.63 0.00 1.19 0.66 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.32 0.00 125 F 9.14 5.20 0.00 3.03 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 0.00 126 A 9.07 5.28 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 0.00 127 C 8.92 5.15 0.00 2.83 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 0.00 128 I 8.33 5.11 1.95 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.90 0.00 0.00 129 N 9.25 5.08 0.00 2.69 2.69 0.00 0.00 6.70 8.84 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 0.00 130 D 8.49 5.01 0.00 2.72 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 *132 P 0.00 4.18 0.00 1.89 1.78 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.36 0.00 133 I 7.91 4.77 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.86 0.00 0.00 134 K 9.29 4.25 0.00 1.62 1.85 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.33 7.81 135 A 8.74 3.41 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 0.00 136 Q 7.78 4.09 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 137 E 7.93 4.27 0.00 1.96 1.92 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 2.21 2.18 0.00 138 R 7.05 3.91 0.00 1.38 1.53 0.00 2.21 0.00 0.00 2.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.00 0.00 139 K 8.74 4.38 0.00 1.44 1.93 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 140 F 8.07 5.12 0.00 2.70 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 0.00 0.00 0.00 141 H 8.56 4.82 0.00 3.16 3.27 0.00 5.72 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 W 7.76 4.52 0.00 3.41 3.28 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 0.00 143 P 0.00 4.29 0.00 2.20 2.14 0.00 3.97 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 144 L 8.53 3.84 0.00 1.67 1.72 1.03 1.01 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 0.00 145 G 9.10 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.42 3.87 0.00 1.78 1.84 0.00 3.22 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 147 R 8.00 2.51 0.00 0.67 1.29 0.00 2.57 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 148 P 0.00 4.29 0.00 2.16 1.93 0.00 3.23 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 149 D 8.83 4.31 0.00 2.60 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 0.00 150 D 7.88 4.52 0.00 2.77 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 0.00 151 H 7.67 4.14 0.00 3.05 3.09 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.33 0.00 2.25 2.05 0.00 3.37 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 153 G 8.07 3.91 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 0.00 0.00 0.00 154 L 8.67 4.17 0.00 1.81 2.07 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.19 4.39 0.00 4.00 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 0.00 156 E 8.08 4.34 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.