NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1745 8.3049 120.3535 53.8362 34.1158 175.3943 2 K 3.4708 8.0851 110.2990 56.4155 28.9699 171.5663 3 K 4.6260 9.5168 126.8401 54.1380 36.3787 175.0399 4 I 4.1423 8.5680 128.6158 61.5859 37.7462 175.3138 5 I 4.3639 8.5651 128.9703 60.0873 38.2701 174.9922 6 E 4.8492 8.7012 127.2474 54.7117 32.3593 174.5551 7 T 4.6568 9.8452 123.0408 61.3411 70.7249 174.9432 8 Q 4.1725 8.6069 125.0558 56.9316 28.5980 176.5801 9 R 4.2060 7.7734 112.9448 57.7047 30.4261 175.9033 10 A 4.8648 7.1585 119.4746 49.0201 22.0696 174.1298 11 P 4.4174 0.0000 0.0000 62.0761 31.9969 177.2503 12 G 3.5136 8.5607 111.3056 45.0546 0.0000 172.3351 13 A 3.7948 8.6355 126.8687 52.3792 17.7084 177.2823 14 I 3.7920 8.0701 122.2555 64.0977 39.0956 177.9543 15 G 4.0612 7.4822 113.5037 44.4659 0.0000 172.1306 16 P 4.5319 0.0000 0.0000 61.1218 29.8611 174.2140 17 Y 4.8614 6.6384 119.6569 56.7220 41.3574 175.2145 18 V 4.4885 8.0521 113.2290 59.5376 34.3212 176.3624 19 Q 4.3513 8.7382 121.1775 59.1646 29.7002 176.5423 20 G 4.5693 7.8630 103.4219 45.1505 0.0000 172.1868 21 V 5.0861 8.9525 120.1585 60.8658 35.5654 173.7059 22 D 5.1649 9.2309 126.8387 52.5377 43.2420 175.8836 23 L 4.6793 9.2654 125.9449 54.3843 41.2950 177.0873 24 G 4.0888 7.8993 113.9762 45.7853 0.0000 175.3575 25 S 4.3865 7.8895 113.1984 59.8557 65.0356 173.8365 26 M 5.3082 8.0838 118.3941 53.1747 36.1620 174.7026 27 V 5.0070 9.1955 122.4067 61.1880 34.9524 174.0802 28 F 5.3296 9.3125 126.2072 55.9409 41.5459 174.6951 29 T 4.9939 8.5452 113.8766 60.1378 70.4539 174.9592 30 S 4.2961 8.8736 120.3768 58.5876 63.9414 174.5589 31 G 3.8710 8.4481 109.1456 46.4181 0.0000 172.8165 32 Q 4.7289 9.3232 126.2077 54.6665 30.3001 175.3317 33 I 4.8292 8.2207 117.7226 57.8146 40.0725 174.8306 34 P 4.7115 0.0000 0.0000 62.8390 30.0970 175.7260 35 V 4.4655 6.8168 125.2181 63.1552 31.5589 174.2923 *37 P 4.5243 0.0000 0.0000 62.6779 32.5556 177.6462 38 Q 4.1407 8.2153 116.8233 57.7887 28.7951 176.8772 39 T 4.3092 7.8288 104.7990 60.4837 70.1329 175.3441 40 G 3.8805 8.4100 111.7139 46.3442 0.0000 174.2694 41 E 4.1734 7.7730 115.5416 55.4835 30.3736 181.2404 42 I 4.6872 8.2676 122.2668 57.7320 38.2895 174.2738 43 P 4.3806 0.0000 0.0000 62.5774 31.9298 176.4761 44 A 4.1382 8.5210 123.6775 55.1720 18.9297 178.8563 45 D 4.6081 7.8721 115.7909 53.8316 42.8519 178.0045 46 V 3.6858 8.5403 125.8352 65.4580 31.3478 179.4236 47 Q 3.9812 7.9962 120.8940 60.4023 28.0144 181.6613 48 D 4.5768 8.0312 120.8090 57.0159 40.8919 178.7934 49 Q 3.9507 8.3630 118.5755 58.8336 28.7969 178.6120 50 A 3.9487 8.2842 122.0785 55.2479 18.5871 179.5955 51 R 3.7189 8.0049 117.1231 59.5224 30.1623 178.5142 52 L 3.9506 8.2187 120.4356 58.1218 42.0840 179.1085 53 S 4.0843 8.0533 115.1659 61.5886 62.7610 176.4742 54 L 3.5197 7.4420 121.1051 57.8058 41.1399 179.5891 55 E 4.0336 7.8488 117.9589 59.4056 29.1508 179.1492 56 N 4.3643 8.2338 116.6616 56.0556 38.5858 177.6477 57 V 3.5956 7.8489 119.7034 65.8108 31.5808 177.5874 58 K 3.8261 8.1648 119.2724 59.8142 31.9668 178.1686 59 A 3.9997 8.1008 120.5243 55.4557 17.8201 179.7474 60 I 3.7329 7.5456 118.0990 64.3928 37.2609 178.9205 61 V 3.6492 7.9295 119.2219 65.9419 31.4042 178.2976 62 V 4.0633 8.3814 119.4254 65.5115 31.1744 177.8444 63 A 4.0599 8.0260 119.1528 54.7337 18.2560 178.5815 64 A 4.2962 7.5084 116.0266 52.6593 18.7425 178.1931 65 G 3.8627 8.1328 105.7234 45.1579 0.0000 173.1794 66 L 4.9212 7.6573 120.3705 52.6058 44.7153 175.0277 67 S 4.9477 8.5713 112.5522 56.7366 66.5142 174.8541 68 V 3.5051 8.3637 119.6655 66.0628 30.9953 177.7220 69 G 3.8442 7.9664 106.2219 47.2174 0.0000 173.4803 70 D 4.5949 8.1341 119.5099 54.6081 41.4836 176.2790 71 I 4.3496 7.6871 121.7704 61.3807 37.3722 175.5534 72 I 4.3884 8.7461 119.3110 61.0652 40.0045 175.4612 73 K 5.0956 7.7535 123.8182 55.2499 35.8070 174.5440 74 M 5.3664 9.2699 126.0212 53.9257 36.7097 174.2051 75 T 4.7458 8.7048 118.9743 61.7934 71.5776 173.5484 76 V 4.2415 8.6846 127.3212 61.0621 33.1007 173.6730 77 F 5.0982 8.8763 127.5684 56.8167 40.0830 175.0145 78 I 5.2951 9.0052 117.0163 59.5465 40.8652 175.8639 79 T 4.4270 8.8691 111.6021 61.9488 70.8891 173.9145 80 D 4.8322 7.8478 122.1796 51.7729 43.3685 175.3450 81 L 4.1116 9.2240 128.6225 57.8293 41.3231 179.1967 82 N 4.4866 8.4122 115.5618 55.7771 38.7392 176.0829 83 D 4.6295 8.1513 119.1855 55.0940 41.0037 178.0357 84 F 4.0927 8.3004 122.6715 61.0478 39.5349 176.5530 85 A 3.8448 8.1126 119.9945 55.6311 18.1376 179.6866 86 T 3.7918 7.7194 113.4324 66.7554 68.5841 176.8849 87 I 3.6476 7.6612 121.7300 64.5268 37.0535 178.0711 88 N 4.0282 8.0132 120.3884 56.8499 38.6332 177.5842 89 E 3.9223 7.9492 119.6514 61.0485 29.9251 181.7768 90 V 3.8261 7.7555 119.7657 66.1647 31.3788 177.5604 91 Y 4.1168 8.3892 119.4655 60.3704 38.5747 177.6736 92 K 4.1621 8.5614 120.9008 59.7741 32.3993 178.6602 93 Q 4.0794 8.2684 118.3416 59.0333 28.5449 178.8668 94 F 4.0595 8.4078 121.4298 61.3568 39.4527 177.3080 95 F 3.8397 8.1323 117.2571 60.5152 38.7760 177.0951 96 D 4.4571 8.5301 118.6637 57.9521 40.5213 178.8301 97 E 3.9262 8.3709 117.4604 59.4271 29.5108 178.4736 98 H 4.5032 7.1956 112.0985 54.1307 29.7614 174.6405 99 Q 3.3319 8.1577 119.0084 57.1707 26.6914 173.6123 100 A 4.7692 7.8126 118.7842 50.1280 21.4699 177.4862 101 T 3.7178 8.3141 119.3515 63.5159 69.1635 173.8980 102 Y 3.9468 7.7298 123.3712 57.3054 38.4068 174.3047 103 P 4.7287 0.0000 0.0000 61.9367 33.1867 175.7388 104 T 4.1814 8.3898 110.0037 62.2170 69.8098 173.3889 105 R 5.6940 8.0867 121.2261 55.2133 33.6024 174.0916 106 S 4.7588 8.5306 119.2272 56.8247 67.2035 172.4785 107 C 5.4093 8.4014 122.6028 56.7184 34.0490 173.3385 108 V 4.4891 8.2023 118.1429 59.5241 35.9628 174.4507 109 Q 4.8023 8.6368 124.9504 55.3775 29.4985 175.6736 110 V 4.2042 8.5500 121.1085 60.0296 33.2232 176.6248 111 A 4.0677 8.6583 123.7739 55.0910 18.3912 177.7231 112 R 4.4065 7.0455 111.2576 56.0922 32.8726 173.0131 113 L 4.8451 7.6006 120.4840 51.7547 46.1235 174.3671 114 P 4.3298 0.0000 0.0000 64.5244 31.5593 176.9921 115 K 3.7937 9.2132 120.1354 57.1159 29.4582 174.9522 116 D 4.4469 7.9931 115.5051 55.3096 38.8980 174.8442 117 V 3.9106 7.1210 109.5237 61.4395 32.2839 176.8642 118 K 4.4316 9.5464 121.4576 57.3393 33.0796 176.6795 119 L 5.2292 7.6574 118.4797 54.3255 43.4547 174.6515 120 E 4.9479 9.8506 121.8701 54.5755 33.2263 174.3300 121 I 5.0074 9.0060 127.6116 59.6454 40.2369 174.3423 122 E 5.0556 8.8837 125.0250 54.8312 32.3798 174.9483 123 A 5.3134 8.6791 121.4212 50.4901 23.4796 174.9852 124 I 4.7274 8.7786 119.9784 59.3391 40.5795 174.5789 125 A 5.1999 8.9361 128.9019 50.1390 21.9505 175.3401 126 V 4.7050 8.2060 113.4340 59.6803 34.3386 176.3516 127 R 4.0845 8.7982 124.4664 58.9352 30.5738 176.7330 128 S 4.2723 7.7675 117.6928 58.6673 63.8380 173.6960 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 M 8.30 4.17 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 K 8.09 3.47 0.00 1.94 1.84 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.49 7.81 3 K 9.52 4.63 0.00 1.88 1.62 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.32 1.26 7.81 4 I 8.57 4.14 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 1.36 0.66 0.93 0.00 0.00 5 I 8.57 4.36 1.92 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 1.15 0.56 0.99 0.00 0.00 6 E 8.70 4.85 0.00 1.93 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 2.18 2.28 0.00 7 T 9.85 4.66 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 1.33 0.00 0.00 8 Q 8.61 4.17 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.27 1.94 0.00 9 R 7.77 4.21 0.00 1.85 2.02 0.00 3.08 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 10 A 7.16 4.86 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 11 P 0.00 4.42 0.00 2.11 2.02 0.00 3.72 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 2.06 2.35 0.00 12 G 8.56 3.51 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 13 A 8.64 3.79 1.01 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 0.00 0.00 14 I 8.07 3.79 1.96 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 1.35 0.87 1.01 0.00 0.00 15 G 7.48 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.53 0.00 2.22 2.10 0.00 3.90 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 2.04 1.97 0.00 17 Y 6.64 4.86 0.00 3.08 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 18 V 8.05 4.49 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 0.77 0.00 0.00 1.03 0.00 0.00 19 Q 8.74 4.35 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 20 G 7.86 4.57 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 0.00 0.00 0.00 21 V 8.95 5.09 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 1.00 0.00 0.00 0.97 0.00 0.00 22 D 9.23 5.16 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.27 4.68 0.00 1.80 1.73 1.12 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.90 4.09 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 0.00 25 S 7.89 4.39 0.00 3.93 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 26 M 8.08 5.31 0.00 1.88 2.09 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 27 V 9.20 5.01 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 1.14 0.00 0.00 1.00 0.00 0.00 28 F 9.31 5.33 0.00 3.05 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 29 T 8.55 4.99 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 1.26 0.00 0.00 30 S 8.87 4.30 0.00 3.88 3.67 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 31 G 8.45 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 32 Q 9.32 4.73 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 33 I 8.22 4.83 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 1.41 0.62 0.91 0.00 0.00 34 P 0.00 4.71 0.00 2.24 2.49 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 35 V 6.82 4.47 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 0.90 0.00 0.00 0.95 0.00 0.00 *37 P 0.00 4.52 0.00 2.25 2.16 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.14 0.00 38 Q 8.22 4.14 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 39 T 7.83 4.31 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 40 G 8.41 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.77 4.17 0.00 1.97 1.75 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 2.26 2.15 0.00 42 I 8.27 4.69 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 1.23 1.77 0.92 0.00 0.00 43 P 0.00 4.38 0.00 2.17 2.05 0.00 3.93 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 1.98 1.96 0.00 44 A 8.52 4.14 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 45 D 7.87 4.61 0.00 2.94 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 3.69 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 0.98 0.00 0.00 0.94 0.00 0.00 47 Q 8.00 3.98 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 48 D 8.03 4.58 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 49 Q 8.36 3.95 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 50 A 8.28 3.95 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 51 R 8.00 3.72 0.00 1.98 2.05 0.00 3.16 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 1.63 1.67 0.00 52 L 8.22 3.95 0.00 1.83 1.70 0.91 1.08 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 53 S 8.05 4.08 0.00 3.87 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.44 3.52 0.00 1.07 0.13 0.59 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.85 4.03 0.00 2.17 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 2.51 2.51 0.00 56 N 8.23 4.36 0.00 2.91 3.04 0.00 0.00 6.63 6.97 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 57 V 7.85 3.60 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 1.02 0.00 0.00 0.96 0.00 0.00 58 K 8.16 3.83 0.00 2.28 2.12 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.44 7.81 59 A 8.10 4.00 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 0.00 0.00 0.00 0.00 0.00 60 I 7.55 3.73 2.02 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 1.45 1.22 1.02 0.00 0.00 61 V 7.93 3.65 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 1.03 0.00 0.00 1.03 0.00 0.00 62 V 8.38 4.06 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 1.30 0.00 0.00 0.94 0.00 0.00 63 A 8.03 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.51 4.30 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 65 G 8.13 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.66 4.92 0.00 1.89 1.75 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.57 4.95 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.36 3.51 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 0.48 0.00 0.00 0.40 0.00 0.00 69 G 7.97 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.13 4.59 0.00 2.90 2.88 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 71 I 7.69 4.35 2.26 0.00 0.00 1.00 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 0.55 1.10 0.00 0.00 72 I 8.75 4.39 1.85 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 1.06 0.83 0.96 0.00 0.00 73 K 7.75 5.10 0.00 1.82 1.58 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.52 7.81 74 M 9.27 5.37 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 75 T 8.70 4.75 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 76 V 8.68 4.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 77 F 8.88 5.10 0.00 3.02 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 78 I 9.01 5.30 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.30 1.00 0.00 0.00 79 T 8.87 4.43 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 1.28 0.00 0.00 80 D 7.85 4.83 0.00 2.66 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 81 L 9.22 4.11 0.00 1.80 1.66 0.83 0.37 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 82 N 8.41 4.49 0.00 3.01 2.91 0.00 0.00 7.04 7.65 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 83 D 8.15 4.63 0.00 2.89 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 84 F 8.30 4.09 0.00 3.22 3.13 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 0.00 85 A 8.11 3.84 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 86 T 7.72 3.79 4.36 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 1.19 0.00 0.00 87 I 7.66 3.65 1.80 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 0.78 0.85 0.00 0.00 88 N 8.01 4.03 0.00 2.26 2.45 0.00 0.00 7.37 8.46 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 89 E 7.95 3.92 0.00 2.06 1.94 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 2.24 2.18 0.00 90 V 7.76 3.83 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 91 Y 8.39 4.12 0.00 3.11 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 92 K 8.56 4.16 0.00 1.97 2.00 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.74 1.49 7.81 93 Q 8.27 4.08 0.00 2.46 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 94 F 8.41 4.06 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.13 3.84 0.00 3.50 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 96 D 8.53 4.46 0.00 2.97 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 97 E 8.37 3.93 0.00 1.86 1.75 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 2.30 2.59 0.00 98 H 7.20 4.50 0.00 3.11 3.12 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.16 3.33 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 100 A 7.81 4.77 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 0.00 101 T 8.31 3.72 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 1.13 0.00 0.00 102 Y 7.73 3.95 0.00 2.90 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 0.00 103 P 0.00 4.73 0.00 2.04 2.14 0.00 3.07 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 104 T 8.39 4.18 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 1.20 0.00 0.00 105 R 8.09 5.69 0.00 1.75 1.70 0.00 2.57 0.00 0.00 3.50 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 106 S 8.53 4.76 0.00 3.64 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 0.00 107 C 8.40 5.41 0.00 2.90 2.64 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 0.00 108 V 8.20 4.49 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 0.64 0.00 0.00 1.05 0.00 0.00 109 Q 8.64 4.80 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 110 V 8.55 4.20 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 0.84 0.00 0.00 1.07 0.00 0.00 111 A 8.66 4.07 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 0.00 112 R 7.05 4.41 0.00 1.71 1.73 0.00 3.18 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 113 L 7.60 4.85 0.00 1.85 1.46 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.33 0.00 2.15 1.99 0.00 3.77 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 2.05 2.08 0.00 115 K 9.21 3.79 0.00 1.91 1.90 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.46 7.81 116 D 7.99 4.45 0.00 2.84 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 0.00 117 V 7.12 3.91 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 0.72 0.00 0.00 1.03 0.00 0.00 118 K 9.55 4.43 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.33 7.81 119 L 7.66 5.23 0.00 1.78 1.63 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.85 4.95 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 121 I 9.01 5.01 1.90 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 1.36 0.56 0.99 0.00 0.00 122 E 8.88 5.06 0.00 2.17 2.21 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 2.32 2.32 0.00 123 A 8.68 5.31 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 0.00 124 I 8.78 4.73 1.68 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.69 0.38 0.00 0.00 125 A 8.94 5.20 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 0.00 126 V 8.21 4.70 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 0.64 0.00 0.00 0.92 0.00 0.00 127 R 8.80 4.08 0.00 1.96 1.95 0.00 3.21 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 128 S 7.77 4.27 0.00 3.84 3.68 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 * Residues marked with a * may have inaccurate shift predictions.