NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7277 8.4249 117.7893 51.5661 39.9798 174.0868 4 K 4.4467 7.6853 118.7448 57.0912 33.8806 174.1919 5 K 5.4134 8.9648 120.2277 54.1265 38.0239 174.2150 *7 N 4.9566 8.5169 117.9366 53.9499 40.3229 172.8747 8 L 5.1789 9.0061 126.5834 52.9282 44.8014 175.3521 9 L 4.8340 9.1717 127.3013 53.9367 43.2594 175.4276 10 L 4.6761 8.6703 131.0270 54.2859 41.6863 176.3726 11 F 4.4512 8.8887 129.7330 60.3226 40.2102 176.7518 12 S 4.5273 8.3691 113.6866 58.6738 63.2461 174.3227 13 G 4.2741 8.5440 112.6640 45.5463 0.0000 173.3660 14 D 5.0304 7.8554 119.0824 52.2554 43.8039 175.8752 15 Y 4.0044 9.0483 125.6850 61.1278 38.8762 178.7491 16 D 4.4626 8.2559 119.3855 56.4542 39.6841 178.4942 17 K 4.0414 8.0862 119.2832 59.0547 32.1747 179.0139 18 A 4.0017 8.2746 121.3941 54.8405 18.2082 179.3413 19 L 3.7422 8.0352 118.7752 58.2607 42.1992 178.9257 20 A 4.0230 8.0271 120.8353 55.3857 18.2383 179.7662 21 S 4.1149 8.2097 112.5895 61.5434 62.9402 176.4981 22 L 4.1292 8.0629 122.1522 56.7042 41.6027 179.2061 23 I 3.6921 8.1020 120.5211 64.4983 37.0754 178.4261 24 I 3.6896 7.8822 120.2004 64.3217 36.9749 178.4222 25 A 3.9726 8.2145 121.7330 55.1814 18.2172 179.4636 26 N 4.2561 8.4930 115.0497 56.4476 38.4352 177.4901 27 A 3.9903 7.7258 120.4755 55.1548 18.7191 179.2091 28 A 4.0838 8.1984 119.2868 55.3803 18.2112 180.1110 29 R 4.0573 7.8881 115.7014 59.0597 30.3385 180.1727 30 E 4.2232 7.9412 119.2170 55.7945 29.3646 177.3776 *32 E 4.2424 8.0062 114.9620 56.0772 31.2311 175.9963 33 I 4.2533 7.7366 119.9382 60.9904 38.1145 175.7090 34 E 4.2272 9.0057 126.6047 56.0636 30.8262 175.7212 35 V 4.4565 8.4044 124.1856 61.3583 34.3293 173.9472 36 T 5.0164 8.5396 124.2738 61.9075 71.2221 173.1492 37 I 4.8530 8.7493 128.1408 59.6149 39.8088 174.7128 38 F 5.3536 9.3377 131.6040 57.3437 40.3696 174.1360 39 C 5.1068 8.9505 125.1864 58.5000 29.3271 173.4124 40 A 4.3896 8.4699 124.2332 49.7694 23.1618 178.9519 41 F 2.9266 8.5394 119.6503 57.7976 39.4801 179.9758 42 W 4.4610 8.0944 131.7931 60.4481 28.5975 177.2740 43 G 3.7547 8.1180 105.8148 47.5893 0.0000 175.5568 44 L 3.9823 7.8400 120.9798 57.6815 41.3919 179.4037 45 L 3.8847 8.0283 119.0351 57.3768 41.2237 178.9522 46 L 3.9160 7.5397 119.4086 57.8693 42.2921 178.1481 47 L 4.3679 7.6042 116.4512 53.7302 41.8584 176.6101 48 R 3.8219 6.7934 119.9228 55.7851 30.6311 175.6338 49 D 4.1699 8.1751 123.4530 51.6603 40.9294 175.1498 50 P 4.1505 0.0000 0.0000 66.3776 31.5124 178.3582 51 E 4.4312 7.8901 111.6114 56.3044 29.4123 179.9871 52 K 4.5812 7.9537 115.8582 56.6568 33.5089 176.4456 53 A 4.1826 7.3945 121.0469 52.6211 18.8195 177.5172 54 S 4.6913 8.8180 113.5060 57.1957 65.5838 174.1145 55 Q 4.5688 8.5905 124.3616 55.9658 30.2657 176.5131 56 E 4.0759 7.8804 115.4379 56.9186 30.5876 181.8173 57 D 4.4838 8.6593 121.7898 55.1850 38.3895 173.6663 58 K 4.7560 7.5723 115.6340 53.9054 35.9800 177.4349 59 S 4.4135 9.1792 117.6754 57.4926 65.0677 175.2217 60 L 3.9729 8.3896 122.6420 58.9576 41.6910 178.5771 61 Y 4.2982 8.0403 115.8831 60.9736 37.8060 178.0384 62 E 3.9196 8.0294 119.3532 59.4517 29.4753 179.4101 63 Q 3.9868 8.4286 118.0218 58.9275 28.8046 178.7124 64 A 3.9812 8.4013 122.1452 55.0107 18.1981 179.3987 65 F 3.9189 8.5088 118.3545 61.4080 39.6031 176.8499 66 S 4.4139 8.3204 112.7103 61.8885 62.0223 176.4310 67 S 4.3204 8.2562 116.4167 60.5623 62.5159 175.2224 68 L 4.6465 7.5847 119.8888 54.3630 41.8338 175.8978 69 T 4.5380 7.0510 106.7079 58.4036 71.3591 171.8560 70 P 4.3048 0.0000 0.0000 63.6990 31.5718 176.9662 71 R 4.2197 9.0831 121.5504 57.3953 30.8087 175.8107 72 E 4.5414 7.5748 114.0564 54.9403 32.2925 175.8180 73 A 3.9661 8.6453 121.9355 55.4033 18.3820 179.6552 74 E 4.2801 8.1993 114.7741 58.8855 29.8274 177.0446 75 E 4.3950 7.9895 116.2403 56.4444 29.9308 176.5151 76 L 4.3433 7.8147 120.3204 54.2386 42.3724 175.5260 77 P 4.6822 0.0000 0.0000 62.2983 31.8018 175.5739 78 L 4.7046 8.9745 121.5056 54.6570 42.1976 178.8505 79 S 4.4389 9.4315 117.4289 61.1738 63.5582 175.5000 80 K 4.5144 7.1347 119.2920 55.2817 33.8202 174.6654 *82 N 4.5852 7.9958 120.0304 51.9830 41.7168 174.2103 83 L 3.6153 8.6601 116.4871 55.8548 39.2244 174.9458 84 G 3.8813 8.9675 99.7055 46.9159 0.0000 174.7933 85 G 3.9530 8.3334 110.0406 45.6786 0.0000 177.0799 86 I 3.9683 7.3727 120.3057 64.5181 35.8852 183.2401 87 G 3.9614 7.9465 105.3445 45.9019 0.0000 175.4424 88 K 4.0505 7.8242 122.1113 58.9717 32.3099 179.2059 89 K 4.1651 7.5976 118.5352 56.3955 31.8387 178.2829 *91 L 4.2183 7.8533 120.1147 54.5751 43.6572 177.7831 92 L 4.0982 7.9217 117.1758 57.7352 42.0333 178.1963 93 E 4.1540 7.7540 120.3128 55.7266 27.4216 176.3257 *96 K 4.2177 8.0362 123.9933 56.0403 34.3768 177.4322 97 E 3.9388 8.1851 116.7754 59.2356 29.3682 177.6774 98 E 4.2340 8.1193 116.0399 55.4507 30.0859 175.4974 99 K 3.7897 7.7901 115.7449 57.9643 30.1816 175.1593 100 A 4.3303 8.0130 121.1719 50.5818 19.3040 176.7034 101 P 4.3779 0.0000 0.0000 62.3202 32.2633 177.1725 102 K 4.3794 8.3976 120.9248 55.7366 34.0435 178.1708 103 L 3.7904 8.5814 122.3940 58.5631 41.8087 179.4106 104 S 4.0867 8.4532 113.9943 61.6036 62.8031 176.2315 105 D 4.3304 8.0239 122.0063 57.0351 40.6487 178.4710 106 L 3.9975 8.0339 119.6644 57.5321 41.4998 179.3566 107 L 3.9358 8.1765 120.6561 58.1491 41.9784 179.0295 108 S 4.0525 8.1874 115.3682 61.5432 62.7086 176.9638 109 G 3.5742 8.2032 107.9974 47.7649 0.0000 175.4205 110 A 4.0412 8.4220 123.9387 55.0145 18.5352 180.0097 111 R 3.9677 8.2352 116.5635 59.3850 29.9094 179.4050 112 K 3.9826 8.0006 117.2971 59.2719 32.1749 178.7636 113 K 4.1949 8.1090 115.6287 55.8698 32.4615 176.4885 114 E 3.7298 7.9426 117.3955 56.8146 27.1957 174.9111 115 V 3.5186 7.4470 117.7663 63.5132 32.5586 175.3862 116 K 4.2333 8.7904 127.2014 55.2021 33.5283 175.3600 117 F 5.1755 8.4307 124.1583 56.0030 41.3889 174.5763 118 Y 5.3600 9.3296 120.5193 55.8520 41.6648 174.5094 119 A 4.7784 8.8915 123.9523 52.3250 22.1592 178.7021 *121 Q 4.1307 8.7796 112.9731 57.4884 31.0852 177.2685 122 L 3.8675 7.8784 118.5041 58.2406 41.9217 178.7402 123 S 3.5388 7.6229 113.1441 61.4825 62.4698 176.3531 124 V 3.7447 7.5780 120.1122 66.0820 31.0103 177.7924 125 E 3.9471 7.8269 116.7965 59.4044 29.3968 179.7769 126 I 3.6486 7.3748 114.7366 62.3651 37.0393 177.0336 *128 G 3.7056 7.7918 106.7946 44.6652 0.0000 173.5939 129 F 4.6694 7.2120 118.1278 57.4065 39.6358 175.1962 130 K 4.5450 9.1499 124.4759 54.6069 33.8560 177.6818 131 K 3.8443 8.8240 124.9133 60.3991 32.1691 179.5377 132 E 4.1318 8.0621 112.9927 58.3032 29.9274 179.5276 133 E 4.2987 8.2684 115.9033 58.0545 29.8903 176.3975 134 L 4.7476 7.0926 118.3138 52.0545 44.3124 176.1585 135 F 4.3737 7.6670 118.7069 57.3627 39.3972 175.2545 136 P 4.2879 0.0000 0.0000 65.6666 31.2159 177.3570 137 E 4.2450 8.0737 112.8797 56.8463 30.1583 176.7734 138 V 4.0051 7.6721 121.1893 63.4636 32.2716 175.0645 139 Q 4.8895 8.5548 125.9105 54.1864 31.8078 175.6798 140 I 5.0620 8.5963 123.6786 60.2459 38.9517 174.3577 *142 D 4.5801 8.3713 122.3050 52.9322 40.4116 176.8494 143 V 3.7979 8.2534 118.5780 64.9329 31.1429 178.5126 144 K 4.0028 8.1330 118.7774 59.2010 31.9707 179.0212 145 E 3.8511 8.6193 119.1570 59.2064 29.3467 178.4635 146 Y 3.5664 7.5970 119.5691 60.5741 38.6573 178.3769 147 L 3.4583 7.8041 119.6416 57.3658 41.6467 179.2610 148 K 3.7157 7.8594 119.4958 59.5949 31.8805 178.2472 149 N 4.1388 7.6715 115.3397 56.5400 39.1770 176.3304 150 A 3.9549 7.9383 122.3964 55.1481 18.2147 179.6736 151 L 3.9687 7.9302 116.4263 57.2207 41.7021 178.5515 152 E 4.3405 7.4887 115.9746 55.7160 29.9038 176.3711 153 S 4.6395 7.1969 115.7071 57.6553 64.3423 173.7830 154 D 4.6489 8.6822 121.3033 55.0466 41.4123 177.1902 155 L 4.6046 7.6311 120.2425 53.4851 44.7454 174.6299 156 Q 4.9759 8.7189 124.2188 54.2748 31.9903 174.6521 157 L 5.0109 8.9657 122.8600 52.8855 46.5856 175.1918 158 F 5.2342 9.0285 123.5901 56.6963 41.4047 175.1851 159 I 4.2891 8.6590 126.7909 61.4341 37.4496 175.6827 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 3 N 8.42 4.73 0.00 2.76 2.77 0.00 0.00 6.75 6.56 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 4 K 7.69 4.45 0.00 1.75 1.75 0.00 1.59 0.00 0.00 1.92 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.48 7.81 5 K 8.96 5.41 0.00 1.64 1.66 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.20 7.81 *7 N 8.52 4.96 0.00 2.82 2.79 0.00 0.00 6.73 6.66 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 8 L 9.01 5.18 0.00 1.66 1.60 0.94 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 L 9.17 4.83 0.00 1.82 1.55 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.67 4.68 0.00 1.87 1.59 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.89 4.45 0.00 2.52 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 12 S 8.37 4.53 0.00 4.00 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 13 G 8.54 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 0.00 0.00 0.00 0.00 14 D 7.86 5.03 0.00 2.73 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.05 4.00 0.00 3.13 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 16 D 8.26 4.46 0.00 2.98 3.02 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 17 K 8.09 4.04 0.00 1.87 1.95 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.55 7.81 18 A 8.27 4.00 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 19 L 8.04 3.74 0.00 1.80 1.83 0.84 1.35 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 20 A 8.03 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.21 4.11 0.00 4.11 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 0.00 22 L 8.06 4.13 0.00 1.72 1.77 0.95 0.81 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 23 I 8.10 3.69 2.06 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 1.53 1.08 0.92 0.00 0.00 24 I 7.88 3.69 2.01 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 1.47 0.73 0.93 0.00 0.00 25 A 8.21 3.97 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 26 N 8.49 4.26 0.00 2.87 2.88 0.00 0.00 6.94 8.07 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 27 A 7.73 3.99 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 28 A 8.20 4.08 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 29 R 7.89 4.06 0.00 1.95 1.99 0.00 3.53 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 30 E 7.94 4.22 0.00 2.12 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 2.34 2.47 0.00 *32 E 8.01 4.24 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 33 I 7.74 4.25 1.99 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 1.23 0.47 0.91 0.00 0.00 34 E 9.01 4.23 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 35 V 8.40 4.46 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 1.01 0.00 0.00 0.93 0.00 0.00 36 T 8.54 5.02 4.34 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 1.57 0.00 0.00 37 I 8.75 4.85 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.58 1.04 0.00 0.00 38 F 9.34 5.35 0.00 3.29 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 39 C 8.95 5.11 0.00 2.85 2.78 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 40 A 8.47 4.39 1.13 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 0.00 0.00 41 F 8.54 2.93 0.00 2.43 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.09 4.46 0.00 3.50 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 43 G 8.12 3.75 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 0.00 0.00 0.00 44 L 7.84 3.98 0.00 1.87 1.65 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.03 3.88 0.00 1.83 1.73 1.15 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.54 3.92 0.00 1.67 1.81 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.60 4.37 0.00 1.64 1.54 0.92 0.59 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 48 R 6.79 3.82 0.00 1.55 1.65 0.00 2.79 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.05 0.00 49 D 8.18 4.17 0.00 1.98 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 50 P 0.00 4.15 0.00 2.23 2.25 0.00 3.70 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 2.06 2.07 0.00 51 E 7.89 4.43 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 2.26 2.15 0.00 52 K 7.95 4.58 0.00 1.73 1.89 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.31 7.81 53 A 7.39 4.18 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.82 4.69 0.00 3.80 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 55 Q 8.59 4.57 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 56 E 7.88 4.08 0.00 1.96 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 2.26 2.15 0.00 57 D 8.66 4.48 0.00 2.77 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 58 K 7.57 4.76 0.00 1.69 1.65 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.33 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.53 7.81 59 S 9.18 4.41 0.00 3.94 3.97 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 60 L 8.39 3.97 0.00 1.81 1.75 1.00 0.95 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 61 Y 8.04 4.30 0.00 2.96 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 62 E 8.03 3.92 0.00 2.24 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 0.00 2.16 2.28 0.00 63 Q 8.43 3.99 0.00 2.30 2.29 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 2.45 2.55 0.00 64 A 8.40 3.98 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 65 F 8.51 3.92 0.00 3.03 3.12 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 66 S 8.32 4.41 0.00 4.05 4.10 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 67 S 8.26 4.32 0.00 3.93 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 68 L 7.58 4.65 0.00 1.63 1.57 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.05 4.54 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 0.46 0.00 0.00 70 P 0.00 4.30 0.00 2.06 2.10 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 71 R 9.08 4.22 0.00 1.79 1.94 0.00 3.36 0.00 0.00 3.46 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 72 E 7.57 4.54 0.00 2.09 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 2.24 2.29 0.00 73 A 8.65 3.97 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 74 E 8.20 4.28 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 2.36 2.48 0.00 75 E 7.99 4.40 0.00 2.15 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 76 L 7.81 4.34 0.00 1.75 1.83 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.68 0.00 2.07 2.13 0.00 3.89 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 2.02 1.93 0.00 78 L 8.97 4.70 0.00 1.59 1.81 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 S 9.43 4.44 0.00 3.95 4.03 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 80 K 7.13 4.51 0.00 1.83 1.74 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.38 7.81 *82 N 8.00 4.59 0.00 2.93 2.81 0.00 0.00 7.19 6.66 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 83 L 8.66 3.62 0.00 1.89 1.64 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.97 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 85 G 8.33 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 0.00 0.00 0.00 86 I 7.37 3.97 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 1.45 0.75 0.91 0.00 0.00 87 G 7.95 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 0.00 0.00 0.00 88 K 7.82 4.05 0.00 1.86 1.87 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.00 7.81 89 K 7.60 4.17 0.00 2.14 1.83 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.32 7.81 *91 L 7.85 4.22 0.00 1.63 1.81 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.92 4.10 0.00 1.61 1.68 0.75 0.92 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 93 E 7.75 4.15 0.00 2.18 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 *96 K 8.04 4.22 0.00 1.97 2.00 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 97 E 8.19 3.94 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 98 E 8.12 4.23 0.00 1.91 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 2.26 2.39 0.00 99 K 7.79 3.79 0.00 1.96 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.37 7.81 100 A 8.01 4.33 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.38 0.00 2.06 2.00 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 102 K 8.40 4.38 0.00 1.85 2.03 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.54 7.81 103 L 8.58 3.79 0.00 0.77 1.51 0.70 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.45 4.09 0.00 4.11 4.14 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 0.00 0.00 0.00 0.00 105 D 8.02 4.33 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 0.00 106 L 8.03 4.00 0.00 1.82 1.70 0.90 0.26 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 0.00 107 L 8.18 3.94 0.00 1.76 1.75 0.55 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.19 4.05 0.00 3.99 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 0.00 109 G 8.20 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 0.00 0.00 0.00 110 A 8.42 4.04 1.57 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 0.00 111 R 8.24 3.97 0.00 1.87 1.97 0.00 2.21 0.00 0.00 2.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 112 K 8.00 3.98 0.00 1.85 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.54 7.81 113 K 8.11 4.19 0.00 1.71 1.83 0.00 1.95 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.63 7.81 114 E 7.94 3.73 0.00 2.14 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 2.23 2.38 0.00 115 V 7.45 3.52 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 0.00 0.00 0.86 0.00 0.00 116 K 8.79 4.23 0.00 1.73 1.36 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.34 7.81 117 F 8.43 5.18 0.00 2.88 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 0.00 118 Y 9.33 5.36 0.00 3.21 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 0.00 119 A 8.89 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *121 Q 8.78 4.13 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.73 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 122 L 7.88 3.87 0.00 1.77 1.57 0.88 1.01 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 S 7.62 3.54 0.00 3.53 3.44 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 0.00 124 V 7.58 3.74 2.19 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 1.12 0.00 0.00 0.92 0.00 0.00 125 E 7.83 3.95 0.00 2.07 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 2.30 2.42 0.00 126 I 7.37 3.65 1.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.67 0.00 0.00 *128 G 7.79 3.71 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 0.00 0.00 0.00 129 F 7.21 4.67 0.00 3.08 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 0.00 130 K 9.15 4.55 0.00 1.93 1.73 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.23 7.81 131 K 8.82 3.84 0.00 1.84 1.83 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.52 7.81 132 E 8.06 4.13 0.00 2.03 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 2.23 1.90 0.00 133 E 8.27 4.30 0.00 2.15 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 2.34 2.31 0.00 134 L 7.09 4.75 0.00 1.54 1.48 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.67 4.37 0.00 3.04 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 0.00 136 P 0.00 4.29 0.00 2.07 2.15 0.00 3.80 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 2.08 2.13 0.00 137 E 8.07 4.25 0.00 2.09 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 0.00 2.31 2.27 0.00 138 V 7.67 4.01 2.22 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 0.81 0.00 0.00 1.02 0.00 0.00 139 Q 8.55 4.89 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 140 I 8.60 5.06 1.94 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 1.07 1.51 0.96 0.00 0.00 *142 D 8.37 4.58 0.00 2.98 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 0.00 143 V 8.25 3.80 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 0.92 0.00 0.00 1.10 0.00 0.00 144 K 8.13 4.00 0.00 1.96 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.55 7.81 145 E 8.62 3.85 0.00 2.08 1.80 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 2.25 2.35 0.00 146 Y 7.60 3.57 0.00 1.43 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.80 3.46 0.00 1.81 1.59 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.86 3.72 0.00 1.82 1.81 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.33 7.81 149 N 7.67 4.14 0.00 2.58 2.71 0.00 0.00 7.28 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 0.00 150 A 7.94 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.93 3.97 0.00 1.56 1.69 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 152 E 7.49 4.34 0.00 2.24 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 2.30 2.21 0.00 153 S 7.20 4.64 0.00 4.04 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 0.00 154 D 8.68 4.65 0.00 2.76 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 0.00 155 L 7.63 4.60 0.00 1.53 1.50 0.95 0.67 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 0.00 156 Q 8.72 4.98 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 157 L 8.97 5.01 0.00 1.66 1.60 0.97 0.82 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 0.00 158 F 9.03 5.23 0.00 3.07 2.86 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 0.00 159 I 8.66 4.29 1.89 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 1.16 0.67 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.