NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4486 8.3344 115.3047 57.5404 64.3257 173.0150 3 L 4.6096 7.7644 120.8957 52.1937 45.1545 173.1602 4 D 4.8246 9.7727 126.6240 53.0794 42.6871 174.5923 5 W 5.2422 8.8382 125.9293 55.6701 31.7166 175.6686 6 T 4.7467 8.6030 116.1871 61.1491 70.6456 171.6521 7 C 5.1135 8.9611 128.5045 57.8903 33.6228 172.7009 8 K 4.7992 9.0259 126.4826 54.5466 34.8184 175.8344 9 H 4.1808 8.7586 123.9324 55.7244 30.8730 175.6242 10 H 4.2292 8.6625 121.6055 58.8561 28.2652 177.4188 11 A 4.0662 8.0206 121.4074 54.5281 18.3108 177.4339 12 D 4.7905 8.1466 114.2227 54.1007 41.1754 176.8638 13 L 4.4118 7.6259 119.8901 54.8556 42.3519 177.4162 14 T 4.4880 8.7435 113.1984 60.1703 71.9411 176.2440 15 L 3.9715 8.2422 120.5630 58.0368 41.6297 179.6362 16 K 3.9400 8.1655 117.7683 59.8427 31.9484 178.9813 17 E 4.2699 8.1746 118.0417 59.3033 29.3401 178.9792 18 L 3.9277 7.9898 120.3875 58.3918 42.1339 178.3121 19 Y 3.9056 8.5979 119.3800 60.6399 38.7086 177.7854 20 A 4.0390 8.7844 122.1662 55.3170 18.5671 179.6666 21 L 3.5987 8.2907 118.5682 58.7934 40.4199 179.3779 22 L 3.9336 8.1121 119.9578 56.9384 41.4922 179.2610 23 Q 3.6469 8.0392 120.3788 58.9825 29.1415 177.8065 24 L 3.8035 7.9644 121.7456 58.1737 42.0019 179.1429 25 R 3.8244 7.7935 118.0043 59.5669 29.9212 179.2486 26 T 3.8908 7.8311 115.5937 66.3747 68.4169 176.3333 27 E 3.8233 8.1761 121.3580 59.1647 29.7234 178.7067 28 V 3.6258 7.4086 117.5425 65.5347 31.6471 178.0199 29 F 4.5936 7.7902 116.9597 59.8442 39.0022 177.0137 30 V 4.5963 7.6531 117.7305 64.6588 32.2842 177.5090 31 V 3.7201 8.0457 118.8003 65.6575 31.2506 177.7838 32 E 3.9381 8.4186 117.8158 59.0303 29.7042 177.7969 33 Q 4.2337 7.9948 115.7868 54.9864 29.5615 175.6879 34 K 3.8030 7.8268 116.8860 57.6006 29.8291 175.8493 35 C 4.6454 8.5112 117.9034 56.8505 33.3790 171.7122 36 P 4.8522 0.0000 0.0000 62.0597 29.1126 174.4661 37 Y 4.7821 7.5907 119.1432 55.4657 41.2020 177.5283 38 Q 4.0204 8.2000 121.6059 54.7162 27.1327 174.4412 39 E 3.4084 7.5631 123.0753 58.0887 30.1216 177.5461 40 V 3.9677 7.5150 119.7601 61.6281 29.7338 174.8917 41 D 4.4672 8.1315 120.0467 52.8938 39.9913 178.3842 42 G 3.9101 8.1648 107.6959 46.1072 0.0000 174.0080 43 L 4.5302 7.8593 117.8023 54.6575 42.2591 177.4276 44 D 4.6739 8.1130 119.4380 56.5078 41.1653 177.0511 45 L 4.6529 7.6727 117.8959 54.5321 42.6471 176.2301 46 V 4.5299 7.2787 110.0309 59.8621 36.6938 180.3809 47 G 3.9548 8.3892 111.6905 47.2747 0.0000 173.9869 48 D 5.2224 9.1185 120.1165 53.6289 41.6189 175.0988 49 T 4.4077 8.2832 109.2443 62.3876 70.1106 173.1510 50 H 5.4090 9.2985 121.3125 54.4832 32.5792 172.9159 51 H 5.2177 9.3671 117.5281 54.2047 31.7785 173.2265 52 L 5.2769 8.8064 125.2462 52.8519 44.9051 175.2292 *54 A 3.8537 8.2654 122.9653 51.5032 19.7181 175.4461 55 W 5.1509 9.3285 123.0349 55.6887 32.1813 175.9594 56 R 4.7285 9.0710 122.5794 56.6026 33.0695 174.9711 57 D 4.3985 9.8586 124.7323 55.5784 38.3679 174.6907 58 G 4.0763 8.3486 104.0977 46.0047 0.0000 173.1617 59 Q 4.6176 8.7445 119.2317 53.6193 31.1436 174.7106 60 L 3.3055 7.7491 123.4216 53.6535 42.0993 175.7128 61 L 4.3752 8.1824 126.9190 55.9776 43.3533 176.7221 62 A 5.1053 7.2467 117.5012 50.9072 22.4318 174.6914 63 Y 5.5487 9.3869 119.4916 58.1280 43.0363 173.0312 64 L 4.8431 6.8838 121.3024 55.4383 43.9902 173.4494 65 R 4.8480 8.8262 120.5337 54.4715 33.4920 174.1471 66 L 5.2113 8.7718 125.5235 53.0603 44.4384 175.3226 67 L 4.9147 8.9767 125.3919 53.1108 42.7716 176.6555 68 D 3.6615 8.6020 123.2293 52.1443 40.3854 175.6187 69 P 4.4811 0.0000 0.0000 65.2328 31.1740 178.9351 70 V 3.7490 7.7806 110.6457 63.1957 31.6938 177.2814 71 R 4.3325 7.5357 116.0208 56.0963 31.6841 175.7721 72 H 4.7504 7.2214 116.4905 56.5521 29.7680 173.2771 73 E 3.5137 9.0803 113.4303 57.5808 27.3921 176.5858 74 G 3.9018 8.3001 102.2045 45.8055 0.0000 173.1876 75 Q 4.7122 7.8099 117.8670 53.7761 32.9003 174.8845 76 V 3.7129 8.4454 117.3347 60.7425 33.2361 175.1852 77 V 4.7876 8.3607 125.3551 61.5160 33.4526 174.3072 78 I 4.8064 8.7471 129.2729 59.8006 38.7676 175.1835 79 G 4.0512 8.9108 112.9756 44.6340 0.0000 172.0904 80 R 4.0327 8.5093 115.0335 56.9211 27.7333 176.7372 81 V 4.2821 7.9924 117.2780 63.1176 32.1648 175.3910 82 V 4.7540 9.2577 126.9681 60.9462 34.9958 173.1270 83 S 5.0341 8.1893 114.9478 56.6326 66.1993 173.6541 84 S 4.0239 9.2962 117.7568 58.5007 62.4551 174.7709 85 S 3.9989 9.0670 121.2380 61.5832 62.1837 176.4426 86 A 3.9401 8.0344 120.8450 54.4624 18.2390 177.6871 87 A 4.4381 7.6674 116.0810 51.7490 19.2443 176.8812 88 R 3.8744 7.3425 117.2606 57.0212 28.8204 176.5746 *90 Q 4.3257 8.5238 124.6389 55.2884 30.8263 177.8498 91 G 3.7840 7.9821 104.8505 47.1213 0.0000 175.5212 92 L 4.1730 8.0641 122.6960 58.1840 41.9650 179.0004 93 G 3.6121 7.9773 104.1295 48.2737 0.0000 174.9262 94 H 4.7117 7.6332 118.3371 58.0399 29.0928 177.6115 95 Q 4.1937 8.8781 120.6797 58.8909 28.5537 179.2932 96 L 4.1159 8.4309 116.2278 55.8590 41.3530 178.4483 *98 E 4.3127 8.0763 122.0608 56.3841 31.3732 178.1822 99 R 3.8179 7.6057 116.8979 58.7754 29.7964 178.9963 100 A 3.9938 7.9380 120.8503 55.1884 18.4212 179.6486 101 L 4.0000 7.8956 117.0731 57.8870 41.7599 179.4036 102 Q 3.9140 8.2675 119.2395 59.1281 29.0022 178.1138 103 A 3.9302 8.3571 121.9199 55.0832 18.3552 179.2479 104 A 4.2916 8.4030 119.6548 55.5534 18.1057 179.4969 105 E 3.9332 8.4081 117.9358 59.4847 29.5418 179.2610 106 R 3.9973 7.8964 114.8841 58.9384 29.6509 178.2594 107 L 3.7307 7.9126 119.2153 55.7049 42.7742 177.3117 108 W 5.2043 8.4480 118.5852 56.5148 30.0556 174.8992 109 L 3.8911 7.4827 117.1867 56.6052 42.1776 176.4050 110 D 4.6348 8.9450 124.3335 54.8509 38.5457 173.7621 111 T 4.3444 8.0602 117.4260 61.7413 69.5373 173.1020 112 P 4.7054 0.0000 0.0000 63.0673 33.0748 174.9354 113 V 4.9744 8.6100 120.7063 61.3801 33.8242 173.7455 114 Y 5.2535 9.1877 128.6065 55.9552 42.0113 174.0232 115 L 4.4411 7.0402 122.9744 54.4939 43.6770 175.1149 116 S 4.5163 8.4570 115.7271 57.0137 63.0459 172.8430 117 A 4.5710 8.3151 129.6133 50.0299 21.5790 176.1738 118 Q 3.8223 8.4047 119.2735 55.2753 29.5199 177.3000 119 A 3.9571 8.8353 127.2144 55.5420 18.5431 179.3539 120 H 4.2377 8.1495 110.0500 57.5123 28.9988 175.5346 121 L 4.7490 7.4184 121.3325 54.9428 40.6730 178.1719 122 Q 4.0095 7.9634 121.5628 60.0649 28.9161 176.3277 123 A 4.1274 8.0080 121.4344 54.8393 18.2396 178.8338 124 Y 3.9295 7.8656 117.3871 61.0957 39.2758 177.1548 125 Y 4.5314 7.7544 117.2191 60.4993 37.9456 178.1517 126 G 4.1995 8.2530 106.9949 48.1012 0.0000 175.8735 127 R 4.0558 7.6550 118.5895 58.2718 29.7954 177.0413 128 Y 4.2504 8.1465 115.6438 57.6970 38.1626 176.9221 129 G 4.0005 8.6053 109.1206 44.8799 0.0000 174.0061 130 F 4.5816 8.1107 118.4507 57.1215 40.5622 174.6328 131 V 4.8085 8.3675 121.0350 60.6719 34.2044 175.1476 132 A 4.4127 8.9259 129.0517 52.8223 18.7210 177.5609 133 V 4.4766 8.8699 111.6269 60.9383 34.1264 175.1638 134 T 4.7225 7.5412 108.8303 59.8756 71.7678 172.6932 135 E 4.3529 8.5211 123.1293 55.1273 30.5946 175.9523 136 V 4.1186 8.0396 122.2288 61.7968 32.3673 174.8988 137 Y 4.9902 8.1683 120.5872 55.5919 42.1541 173.4317 138 L 5.0096 8.6625 118.7154 53.2709 43.8812 177.0394 139 E 4.4228 8.2871 122.5038 54.6695 29.7195 174.5999 140 D 4.3091 8.5644 126.7357 55.2614 37.5925 174.3204 141 D 4.4451 8.3849 113.0179 54.9305 38.8400 173.6147 142 I 4.5409 7.3612 119.9198 58.0948 40.8742 172.6292 143 P 4.6469 0.0000 0.0000 63.9177 32.0633 175.2247 144 H 5.1766 9.1529 121.5025 53.8220 32.7221 172.8572 145 I 4.5158 8.5573 118.9749 59.6369 41.7615 174.8826 146 G 4.6037 9.2335 116.4887 44.7127 0.0000 172.2817 *148 R 4.8118 8.2369 114.9902 56.0005 31.2973 174.3601 149 R 4.5296 8.7595 121.4202 53.7830 32.6909 175.6317 150 A 4.1309 8.6455 127.7059 52.8194 18.2899 176.9594 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 2 S 8.33 4.45 0.00 3.92 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 3 L 7.76 4.61 0.00 1.76 1.45 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.77 4.82 0.00 2.82 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 5 W 8.84 5.24 0.00 3.25 3.19 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 6 T 8.60 4.75 4.35 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 1.39 0.00 0.00 7 C 8.96 5.11 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 8 K 9.03 4.80 0.00 1.87 1.77 0.00 1.91 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.46 7.81 9 H 8.76 4.18 0.00 3.03 3.08 0.00 5.70 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.66 4.23 0.00 3.59 3.87 0.00 5.52 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.02 4.07 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 12 D 8.15 4.79 0.00 2.81 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 13 L 7.63 4.41 0.00 1.71 1.66 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.74 4.49 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 1.19 0.00 0.00 15 L 8.24 3.97 0.00 1.70 1.76 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.17 3.94 0.00 1.78 1.92 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.52 7.81 17 E 8.17 4.27 0.00 2.30 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 2.49 2.30 0.00 18 L 7.99 3.93 0.00 2.02 1.84 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.60 3.91 0.00 3.15 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 20 A 8.78 4.04 1.60 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 0.00 0.00 21 L 8.29 3.60 0.00 0.97 1.70 0.64 0.54 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 22 L 8.11 3.93 0.00 1.48 1.58 0.87 0.77 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 23 Q 8.04 3.65 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 24 L 7.96 3.80 0.00 1.55 1.41 0.76 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.79 3.82 0.00 1.96 2.53 0.00 3.19 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.62 0.00 26 T 7.83 3.89 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 1.16 0.00 0.00 27 E 8.18 3.82 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 28 V 7.41 3.63 1.44 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 0.65 0.00 0.00 0.76 0.00 0.00 29 F 7.79 4.59 0.00 3.55 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 30 V 7.65 4.60 2.34 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 1.44 0.00 0.00 1.03 0.00 0.00 31 V 8.05 3.72 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 0.98 0.00 0.00 0.95 0.00 0.00 32 E 8.42 3.94 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 33 Q 7.99 4.23 0.00 2.46 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 34 K 7.83 3.80 0.00 1.85 1.81 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.36 7.81 35 C 8.51 4.65 0.00 2.92 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 36 P 0.00 4.85 0.00 2.26 2.12 0.00 3.83 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 2.04 1.98 0.00 37 Y 7.59 4.78 0.00 3.10 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 38 Q 8.20 4.02 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.09 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 39 E 7.56 3.41 0.00 1.52 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 0.00 2.26 2.30 0.00 40 V 7.52 3.97 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 0.82 0.00 0.00 0.85 0.00 0.00 41 D 8.13 4.47 0.00 2.84 2.91 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 42 G 8.16 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 43 L 7.86 4.53 0.00 1.71 1.74 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.11 4.67 0.00 2.72 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.67 4.65 0.00 1.59 1.65 0.96 0.89 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 46 V 7.28 4.53 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 0.85 0.00 0.00 0.98 0.00 0.00 47 G 8.39 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 48 D 9.12 5.22 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.41 4.37 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 1.33 0.00 0.00 50 H 9.30 5.41 0.00 3.28 3.32 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 9.37 5.22 0.00 3.24 3.65 0.00 5.60 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.81 5.28 0.00 1.82 1.64 1.07 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *54 A 8.27 3.85 -0.24 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 55 W 9.33 5.15 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 9.07 4.73 0.00 1.77 1.67 0.00 3.19 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 57 D 9.86 4.40 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 58 G 8.35 4.08 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 0.00 0.00 0.00 59 Q 8.74 4.62 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 60 L 7.75 3.31 0.00 0.27 0.96 0.60 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.18 4.38 0.00 1.41 1.54 0.85 0.40 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 62 A 7.25 5.11 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 0.00 0.00 0.00 0.00 0.00 63 Y 9.39 5.55 0.00 3.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 6.88 4.84 0.00 1.71 1.68 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.83 4.85 0.00 1.99 1.97 0.00 3.16 0.00 0.00 3.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 66 L 8.77 5.21 0.00 1.89 1.76 1.01 0.70 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 67 L 8.98 4.91 0.00 1.60 1.39 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.60 3.66 0.00 2.87 3.19 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 69 P 0.00 4.48 0.00 2.12 2.02 0.00 2.72 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.34 0.00 70 V 7.78 3.75 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 0.84 0.00 0.00 0.98 0.00 0.00 71 R 7.54 4.33 0.00 1.67 1.69 0.00 3.32 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 72 H 7.22 4.75 0.00 3.35 3.06 0.00 5.76 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 9.08 3.51 0.00 1.92 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 2.17 2.28 0.00 74 G 8.30 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.81 4.71 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 76 V 8.45 3.71 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 0.62 0.00 0.00 0.93 0.00 0.00 77 V 8.36 4.79 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 1.04 0.00 0.00 0.78 0.00 0.00 78 I 8.75 4.81 1.81 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.34 3.87 0.00 1.93 1.87 0.00 3.25 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 *90 Q 8.52 4.33 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 91 G 7.98 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 92 L 8.06 4.17 0.00 1.79 1.75 1.03 1.39 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 93 G 7.98 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.63 4.71 0.00 3.45 3.49 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.88 4.19 0.00 2.45 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.03 0.00 0.00 0.00 0.00 0.00 2.67 2.73 0.00 96 L 8.43 4.12 0.00 2.04 1.76 1.04 1.22 0.00 0.00 0.00 0.00 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114 Y 9.19 5.25 0.00 3.02 2.70 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 0.00 115 L 7.04 4.44 0.00 1.45 1.23 -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.46 4.52 0.00 4.04 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 0.00 117 A 8.32 4.57 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 0.00 118 Q 8.40 3.82 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 119 A 8.84 3.96 1.23 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 0.00 120 H 8.15 4.24 0.00 3.21 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.42 4.75 0.00 1.67 1.71 1.05 0.15 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 0.00 122 Q 7.96 4.01 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 123 A 8.01 4.13 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 0.00 124 Y 7.87 3.93 0.00 2.86 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 0.00 125 Y 7.75 4.53 0.00 3.18 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 0.00 126 G 8.25 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.65 4.06 0.00 1.78 1.78 0.00 3.05 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 128 Y 8.15 4.25 0.00 3.49 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 0.00 129 G 8.61 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.11 4.58 0.00 3.20 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 0.00 131 V 8.37 4.81 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 0.79 0.00 0.00 0.96 0.00 0.00 132 A 8.93 4.41 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 0.00 133 V 8.87 4.48 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.17 0.00 0.00 134 T 7.54 4.72 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 135 E 8.52 4.35 0.00 1.98 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 2.40 0.00 136 V 8.04 4.12 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 0.73 0.00 0.00 0.87 0.00 0.00 137 Y 8.17 4.99 0.00 3.06 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 0.00 138 L 8.66 5.01 0.00 1.57 1.64 0.93 0.79 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 0.00 139 E 8.29 4.42 0.00 1.64 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 140 D 8.56 4.31 0.00 2.77 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 0.00 141 D 8.38 4.45 0.00 2.83 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 0.00 142 I 7.36 4.54 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.95 0.00 0.00 143 P 0.00 4.65 0.00 2.08 2.16 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 144 H 9.15 5.18 0.00 2.30 2.88 0.00 5.79 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.56 4.52 1.76 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 1.16 1.43 0.89 0.00 0.00 146 G 9.23 4.60 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 0.00 0.00 0.00 *148 R 8.24 4.81 0.00 2.09 2.35 0.00 2.99 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 149 R 8.76 4.53 0.00 0.67 0.83 0.00 2.28 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.16 0.00 150 A 8.65 4.13 1.20 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.