NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.7158 8.0976 119.6577 56.5411 32.3461 173.6006 3 T 4.7948 9.3368 113.9183 59.0061 71.3738 171.3183 4 L 5.0805 9.4415 130.0898 53.1914 45.1560 175.9526 5 A 5.1051 8.6931 128.2479 50.7283 21.2584 175.8945 6 V 4.8988 8.4139 120.0060 61.1493 35.2550 174.2091 7 I 4.9284 9.0241 128.7453 59.6235 39.8756 174.2855 8 S 4.9901 9.2658 122.6041 56.1771 64.7718 173.8498 9 A 4.5603 8.2777 127.4058 51.5789 19.6128 176.9656 10 G 3.8614 8.1933 106.1476 46.9139 0.0000 173.7804 11 L 4.6666 8.3065 117.6286 54.6985 44.2147 177.5832 12 S 4.5122 7.9298 113.5836 57.9011 63.8816 173.3865 13 T 4.4526 8.0006 115.3403 59.7435 69.0221 171.7068 14 P 4.4310 0.0000 0.0000 62.6014 32.4164 175.9907 15 S 4.6576 8.2849 113.3707 56.9582 64.0129 175.1396 16 S 4.2782 8.6548 125.7084 61.6291 62.6411 176.6860 17 T 3.9641 7.8272 118.5905 66.4222 68.2371 176.6575 18 R 3.9668 7.8640 120.2792 59.1476 29.9628 178.5575 19 Q 3.9675 8.0151 118.0870 59.0758 28.8256 178.6331 20 I 3.7292 7.7312 118.8431 64.0985 37.9827 177.7390 21 A 4.0652 8.1070 121.6796 55.1298 18.1098 179.4801 22 D 4.3459 8.3107 119.2008 57.1451 40.8602 179.1456 23 S 4.3054 8.3746 115.7134 61.3955 62.6067 176.8790 24 I 3.8397 7.8191 123.1390 64.0679 36.5079 178.0955 25 S 4.1101 8.2515 115.0553 61.8191 62.5844 176.0376 26 E 3.9194 8.5489 122.7307 59.0562 29.1951 179.0876 27 A 3.9528 7.6684 120.2373 55.3916 18.3188 179.8358 28 V 3.4940 7.9146 116.4970 66.4125 31.4065 178.0246 29 T 3.8471 8.2591 114.2374 66.8662 68.5625 175.8089 30 A 4.0701 8.2687 122.1995 55.3545 18.0307 179.3239 31 A 3.6208 8.3174 119.0633 55.4403 18.4566 179.6270 32 V 3.4420 8.2485 115.8659 64.8958 31.5911 177.8682 33 S 4.6204 9.0065 114.8966 60.4011 62.3217 175.2990 34 A 4.2452 7.4691 121.1808 53.6918 18.1034 177.9603 35 R 4.3708 7.6841 114.9340 55.4574 30.5585 176.0784 36 G 3.8621 8.9354 105.9007 46.3113 0.0000 173.8513 37 E 4.6527 8.0923 116.3890 54.4189 33.9628 174.6238 38 A 4.6221 8.3244 123.9539 50.9103 20.4272 176.4200 39 L 4.9348 8.2596 122.7622 53.2640 45.0146 175.5322 40 S 4.6806 9.5895 122.3931 56.9330 63.7098 173.0312 41 V 4.6452 8.3422 128.1630 60.4369 32.9046 175.5827 42 S 4.5795 8.8617 121.9235 56.6518 63.8847 172.4897 43 T 4.7789 8.3684 124.2780 62.7910 69.4591 174.4058 44 I 4.2924 9.3066 128.9352 59.8361 39.5859 174.5616 45 E 4.9956 8.4338 126.0365 54.5240 30.9671 177.0709 46 L 3.9395 8.6469 126.5009 57.3125 41.9275 179.8263 47 S 4.2492 7.9975 112.0124 60.4532 63.1783 174.5201 48 E 4.4737 7.8663 119.4847 56.3201 29.3954 176.1776 49 L 4.8852 7.7500 117.9865 54.4432 42.5049 178.2247 50 I 3.6862 7.9163 120.8229 64.3371 37.1571 176.4191 51 P 4.0378 0.0000 0.0000 65.7436 31.6768 177.6251 52 D 4.4805 7.8880 119.0727 57.4354 40.8389 180.7189 53 L 4.2670 7.6876 119.2056 54.7122 41.0056 178.7483 *55 T 4.3584 8.1111 116.6237 63.7488 70.3437 176.6898 56 A 4.3761 7.7601 124.0636 52.2121 17.5475 178.5003 *58 T 4.3525 7.9569 111.8978 62.5837 70.7185 173.5998 59 T 4.6997 8.0911 117.2042 61.4604 71.5761 173.8401 60 R 4.2777 8.4190 117.9976 56.9382 30.5021 176.7266 61 V 4.2526 7.4613 117.6567 61.3496 32.9663 174.9908 62 H 4.6005 8.6051 123.6451 55.5829 29.9327 174.8192 63 T 4.5793 7.9298 110.7163 60.3793 72.0442 175.2443 64 T 3.8436 8.3354 117.3345 66.8047 68.2914 176.1325 65 K 3.7948 8.1159 120.5776 59.8318 32.1375 178.2559 66 L 3.9872 7.7196 119.8721 58.2378 41.6308 178.5451 67 E 3.9963 8.9462 119.5395 59.0750 29.0427 178.1801 68 E 4.1876 8.6474 118.2870 57.9764 29.5927 178.9949 69 I 3.8392 7.3861 120.9660 64.3970 37.4207 178.1000 70 T 3.8796 7.9414 110.5680 65.0004 68.1934 176.3408 71 S 4.0543 7.5482 116.0989 61.3903 62.8055 176.4172 72 A 4.1240 7.7041 122.4645 54.8049 18.0086 179.4626 73 L 3.9478 8.0807 119.2203 58.5336 42.1661 179.1396 74 S 4.4483 8.4297 112.7112 59.9661 62.8228 174.5829 75 A 4.6052 7.2411 122.6324 51.8674 20.1619 177.1143 76 S 4.9721 7.6038 111.2896 57.9949 63.6551 174.1821 77 D 4.5298 9.2974 122.8684 56.6010 41.5269 176.6641 78 G 4.3163 7.7165 103.6786 44.6199 0.0000 171.1988 79 L 5.2108 8.0212 117.8291 54.1130 46.1631 174.0629 80 V 4.9591 8.8165 123.8946 61.3678 35.2084 174.1873 81 V 5.1661 8.9094 120.7008 59.6359 34.1938 174.6209 82 A 5.2449 9.1262 126.4328 49.6448 22.8879 174.5605 83 T 4.1861 7.7901 112.0670 60.4809 70.7946 171.3018 84 P 4.9752 0.0000 0.0000 62.2110 33.0885 175.9856 85 V 4.4634 8.4001 120.3865 61.6508 32.5704 174.1404 86 F 5.0808 8.7842 126.6650 56.7945 40.6105 176.7582 87 K 3.9786 9.4873 123.5603 57.6735 29.3749 175.0049 88 A 3.4638 8.4477 115.7028 52.6273 16.3942 177.5767 89 S 4.3640 7.4406 113.3167 59.2173 65.5854 173.5096 90 Y 4.5759 7.6445 118.8441 56.6394 38.5512 176.1513 91 T 4.0979 7.9847 117.6946 63.4399 70.1445 176.3103 92 G 3.7153 8.6861 111.3311 47.8777 0.0000 175.5476 93 L 4.1811 7.9949 121.4247 57.8158 42.4661 178.4363 94 F 4.3823 8.1507 120.0868 61.0082 39.4916 178.6027 95 K 3.9409 8.3100 119.7414 56.2053 31.8751 178.4025 *97 F 4.4718 8.0703 120.7361 57.7870 41.3649 176.7805 98 F 3.6791 7.6053 117.6752 60.3464 38.3185 177.4424 99 D 4.4241 8.1392 118.0885 57.2872 40.6640 178.4162 100 I 3.8705 6.9994 118.8493 62.2493 37.4003 176.5645 101 L 4.0809 6.4809 119.1259 54.1474 42.3773 176.5820 102 D 4.5876 8.3136 120.2004 54.1795 41.6699 177.6298 103 T 3.8827 8.3800 118.8244 66.9581 68.4507 175.8935 104 D 4.9841 7.9663 117.3757 52.5824 40.1773 177.6803 105 A 4.1358 8.0074 125.7251 55.5852 18.8003 179.3071 106 L 4.7850 7.6770 113.8850 54.5318 43.2092 175.9279 107 T 3.6654 7.9121 116.8195 65.3747 68.3217 171.4298 108 G 3.7974 8.5056 119.2003 44.8544 0.0000 170.0968 *110 P 4.4575 0.0000 0.0000 62.3074 33.2081 175.9785 111 T 5.0614 8.9515 119.5249 62.1540 73.6452 172.6889 112 I 4.9031 8.5667 125.4394 59.4657 40.1225 174.5742 113 I 5.1412 8.3609 118.9440 59.2995 40.3732 174.1933 114 A 5.8077 9.2607 124.9328 51.0788 23.2831 174.4281 115 A 4.7325 8.3250 118.8886 51.4004 23.1233 175.2885 116 T 4.7539 8.4457 112.7916 59.8670 70.7499 172.8460 117 A 4.2677 7.7043 128.7233 50.5584 23.0936 175.4673 118 G 3.6629 8.9063 105.9857 49.0820 0.0000 177.4909 119 S 4.6636 7.6571 117.6723 56.6804 65.6563 173.4548 120 A 4.9586 8.3037 120.6506 52.1779 19.8398 178.3388 121 R 4.0005 7.5854 112.3313 58.3671 29.5814 177.1617 122 H 4.9080 7.8468 115.3341 55.5477 29.3814 175.9592 123 S 2.7900 7.7261 118.2934 60.3805 62.4253 175.6291 124 L 4.3159 7.5682 121.5091 55.9331 41.4396 178.8016 125 V 3.7166 7.7122 120.3305 64.2910 31.0528 178.4606 126 L 3.9792 7.7108 120.0026 58.0286 41.3946 178.7811 127 D 4.3750 8.0323 115.7885 55.7073 41.1856 177.2112 128 Y 4.5489 7.9366 114.8226 57.7306 38.6198 175.1853 129 A 4.5813 7.5896 121.7673 53.0495 21.7732 178.5629 130 L 4.1667 8.4357 115.0524 57.5740 41.6826 179.6405 131 R 3.8445 8.3206 119.0176 59.1560 30.0633 176.6270 132 P 4.1763 0.0000 0.0000 65.5424 31.1040 178.1208 133 L 3.9553 7.5529 117.7585 58.4387 42.3466 178.8145 134 L 4.1316 8.5115 119.0488 57.8387 41.3130 179.8380 135 S 4.1751 8.7009 115.4497 61.3047 63.1257 177.1340 136 Y 4.2990 8.2580 124.1995 57.1217 38.6272 176.4930 *138 R 4.3327 7.9019 113.5191 55.6236 32.6464 175.9506 139 A 4.8402 8.3274 120.5098 50.9632 19.9248 178.7035 140 V 4.1322 8.2723 119.7210 60.2169 33.1615 174.9052 141 V 4.5375 8.2017 126.5899 61.2959 32.1408 176.0311 142 V 3.7133 8.5645 122.3659 61.2050 31.5745 174.7782 143 P 4.2094 0.0000 0.0000 66.0147 31.3176 176.7613 144 T 4.1217 8.1973 115.5107 63.0659 67.5303 174.3618 145 G 4.0991 8.3628 113.8328 45.1627 0.0000 171.9832 146 V 4.5689 8.8121 121.3806 60.9999 34.0022 174.3235 147 F 5.1607 9.2281 131.0337 56.4198 41.2779 174.9693 148 A 3.6649 8.7014 130.4447 51.0622 19.2113 175.8840 149 A 4.0244 7.6731 124.8327 51.1455 18.1840 177.3058 150 T 2.5084 7.7145 118.3653 66.3219 68.5790 175.0138 151 E 4.0336 7.7504 120.7750 58.0804 30.8168 178.0314 152 D 4.6469 7.8804 118.0728 54.4035 40.6534 176.5821 153 F 4.7246 7.3917 118.2759 57.8375 39.6119 174.1808 154 G 3.9346 9.5047 115.6420 45.9029 0.0000 175.5299 155 G 3.8430 8.3304 106.3666 44.6176 0.0000 171.9739 156 P 4.2357 0.0000 0.0000 65.9640 31.4960 178.3906 157 E 4.1889 8.3439 116.9432 59.4317 29.2116 179.6314 158 G 3.7890 8.1999 105.2219 47.5395 0.0000 175.6136 159 A 4.0565 7.9214 122.6598 55.1930 18.5042 179.5477 160 E 3.9876 8.3400 117.1786 59.5532 29.6002 179.4487 161 F 4.2758 8.4710 120.7572 61.4139 39.4252 176.9814 162 N 4.2006 8.1552 116.1164 55.9830 38.1934 177.6151 163 K 3.8931 7.7171 119.3489 59.4591 32.2094 179.0860 164 R 3.8444 7.7585 118.8544 59.7105 29.7686 178.4848 165 I 3.5303 7.2896 118.8583 64.2268 36.9818 178.3125 166 A 3.9171 7.6405 121.3237 54.8800 18.1379 179.5360 167 R 3.7733 8.3270 117.4686 59.6133 30.1098 178.6197 168 A 3.9397 8.0071 120.1653 54.9757 18.2933 179.1598 169 A 4.0074 8.2419 119.6680 55.4560 18.4558 179.8539 170 G 3.6810 8.6734 104.2235 48.1024 0.0000 175.2952 171 E 3.9323 8.2884 121.1227 59.2379 29.5827 179.3756 172 L 3.9433 8.1738 119.9565 57.9060 42.0904 178.5568 173 A 3.9612 8.2803 121.1438 55.4893 18.3688 179.5501 174 S 4.0641 7.9820 113.3517 62.0276 62.7375 177.1718 175 L 4.0232 7.4124 119.8961 57.7032 41.7030 179.5056 176 I 3.8667 8.1601 120.0867 64.6168 36.9774 178.9526 177 V 3.8866 8.2542 111.3928 63.5937 31.4182 177.6900 178 E 4.1263 7.9301 118.2264 57.1488 29.8591 176.3577 179 E 4.1913 7.4538 118.8088 55.9651 30.3390 176.5955 180 S 4.3492 8.5686 116.7375 58.3658 62.5096 173.5034 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 R 8.10 4.72 0.00 1.96 1.92 0.00 3.11 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 3 T 9.34 4.79 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 4 L 9.44 5.08 0.00 1.73 1.54 0.96 0.79 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 5 A 8.69 5.11 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 6 V 8.41 4.90 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 0.99 0.00 0.00 0.95 0.00 0.00 7 I 9.02 4.93 1.97 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 0.87 0.18 0.73 0.00 0.00 8 S 9.27 4.99 0.00 3.83 3.79 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 9 A 8.28 4.56 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 10 G 8.19 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 11 L 8.31 4.67 0.00 1.74 1.78 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.93 4.51 0.00 3.97 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 13 T 8.00 4.45 4.25 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 1.22 0.00 0.00 14 P 0.00 4.43 0.00 2.23 2.04 0.00 3.81 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 2.00 1.96 0.00 15 S 8.28 4.66 0.00 4.12 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 16 S 8.65 4.28 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.83 3.96 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 18 R 7.86 3.97 0.00 1.94 2.09 0.00 3.15 0.00 0.00 3.45 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 19 Q 8.02 3.97 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 20 I 7.73 3.73 1.99 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.32 0.99 0.00 0.00 21 A 8.11 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.31 4.35 0.00 2.90 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 23 S 8.37 4.31 0.00 4.00 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 24 I 7.82 3.84 2.09 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 1.86 0.91 0.93 0.00 0.00 25 S 8.25 4.11 0.00 4.04 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 E 8.55 3.92 0.00 2.09 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 2.34 0.00 27 A 7.67 3.95 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 V 7.91 3.49 2.26 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 1.11 0.00 0.00 0.95 0.00 0.00 29 T 8.26 3.85 4.43 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 1.21 0.00 0.00 30 A 8.27 4.07 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 31 A 8.32 3.62 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 32 V 8.25 3.44 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 0.98 0.00 0.00 0.98 0.00 0.00 33 S 9.01 4.62 0.00 3.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.47 4.25 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 35 R 7.68 4.37 0.00 1.79 1.94 0.00 3.43 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 36 G 8.94 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 37 E 8.09 4.65 0.00 2.13 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 2.22 2.25 0.00 38 A 8.32 4.62 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 39 L 8.26 4.93 0.00 1.62 1.52 0.92 0.90 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 40 S 9.59 4.68 0.00 3.90 3.73 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 41 V 8.34 4.65 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 0.74 0.00 0.00 0.93 0.00 0.00 42 S 8.86 4.58 0.00 3.90 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 43 T 8.37 4.78 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 44 I 9.31 4.29 1.81 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 1.12 0.42 0.64 0.00 0.00 45 E 8.43 5.00 0.00 1.87 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 2.27 2.38 0.00 46 L 8.65 3.94 0.00 1.69 1.65 0.81 -0.10 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 47 S 8.00 4.25 0.00 3.99 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 48 E 7.87 4.47 0.00 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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 59 T 8.09 4.70 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 1.25 0.00 0.00 60 R 8.42 4.28 0.00 1.92 2.05 0.00 3.02 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 61 V 7.46 4.25 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 0.85 0.00 0.00 0.93 0.00 0.00 62 H 8.61 4.60 0.00 3.11 3.24 0.00 5.92 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.93 4.58 4.25 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 1.21 0.00 0.00 64 T 8.34 3.84 4.25 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 1.24 0.00 0.00 65 K 8.12 3.79 0.00 1.82 2.02 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 66 L 7.72 3.99 0.00 1.78 1.81 1.00 1.15 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 67 E 8.95 4.00 0.00 2.11 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 2.30 2.39 0.00 68 E 8.65 4.19 0.00 2.16 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 2.31 2.55 0.00 69 I 7.39 3.84 2.10 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 1.88 0.89 0.97 0.00 0.00 70 T 7.94 3.88 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 1.16 0.00 0.00 71 S 7.55 4.05 0.00 3.88 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 72 A 7.70 4.12 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 73 L 8.08 3.95 0.00 1.92 1.85 0.97 1.14 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 74 S 8.43 4.45 0.00 3.83 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 75 A 7.24 4.61 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0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 111 T 8.95 5.06 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 1.29 0.00 0.00 112 I 8.57 4.90 1.91 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 1.31 1.34 0.94 0.00 0.00 113 I 8.36 5.14 1.93 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 1.32 0.89 0.96 0.00 0.00 114 A 9.26 5.81 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 0.00 115 A 8.32 4.73 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 0.00 116 T 8.45 4.75 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 1.17 0.00 0.00 117 A 7.70 4.27 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 0.00 118 G 8.91 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 127 D 8.03 4.38 0.00 2.40 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.94 4.55 0.00 3.05 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 0.00 129 A 7.59 4.58 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.44 4.17 0.00 1.99 1.79 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.32 3.84 0.00 2.04 2.00 0.00 3.13 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 132 P 0.00 4.18 0.00 2.24 2.12 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 133 L 7.55 3.96 0.00 1.77 1.89 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.51 4.13 0.00 1.75 1.72 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.70 4.18 0.00 4.00 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 0.00 136 Y 8.26 4.30 0.00 2.98 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 *138 R 7.90 4.33 0.00 1.77 1.91 0.00 3.07 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 139 A 8.33 4.84 1.38 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 0.00 0.00 0.00 140 V 8.27 4.13 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 0.71 0.00 0.00 0.94 0.00 0.00 141 V 8.20 4.54 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 0.83 0.00 0.00 0.95 0.00 0.00 142 V 8.56 3.71 2.35 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 0.73 0.00 0.00 1.01 0.00 0.00 143 P 0.00 4.21 0.00 2.04 2.14 0.00 4.00 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 2.04 2.13 0.00 144 T 8.20 4.12 4.32 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 1.22 0.00 0.00 145 G 8.36 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 0.00 0.00 0.00 146 V 8.81 4.57 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 1.20 0.00 0.00 0.94 0.00 0.00 147 F 9.23 5.16 0.00 3.08 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 0.00 148 A 8.70 3.66 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.67 4.02 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 0.00 150 T 7.71 2.51 4.04 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 0.00 0.00 1.26 0.00 0.00 151 E 7.75 4.03 0.00 1.75 1.90 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 2.20 2.36 0.00 152 D 7.88 4.65 0.00 2.42 2.61 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 0.00 153 F 7.39 4.72 0.00 3.01 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 9.50 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.33 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 0.00 156 P 0.00 4.24 0.00 2.20 2.13 0.00 3.64 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 2.13 2.19 0.00 157 E 8.34 4.19 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 158 G 8.20 3.79 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 0.00 0.00 0.00 159 A 7.92 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.34 3.99 0.00 2.24 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 0.00 2.38 2.51 0.00 161 F 8.47 4.28 0.00 3.34 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 N 8.16 4.20 0.00 2.86 2.82 0.00 0.00 7.03 7.74 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 0.00 163 K 7.72 3.89 0.00 2.02 1.84 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 164 R 7.76 3.84 0.00 1.88 1.86 0.00 3.21 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 165 I 7.29 3.53 1.82 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.16 0.81 0.00 0.00 166 A 7.64 3.92 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 0.00 167 R 8.33 3.77 0.00 1.84 2.07 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 168 A 8.01 3.94 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 0.00 169 A 8.24 4.01 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 0.00 170 G 8.67 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 0.00 0.00 0.00 171 E 8.29 3.93 0.00 2.29 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 2.33 2.33 0.00 172 L 8.17 3.94 0.00 1.76 1.80 0.98 1.21 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 0.00 173 A 8.28 3.96 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 0.00 174 S 7.98 4.06 0.00 4.05 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 0.00 175 L 7.41 4.02 0.00 1.78 1.74 0.95 0.85 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 0.00 176 I 8.16 3.87 2.03 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 1.30 0.91 0.00 0.00 177 V 8.25 3.89 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 0.80 0.00 0.00 1.02 0.00 0.00 178 E 7.93 4.13 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 179 E 7.45 4.19 0.00 2.23 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 2.34 2.43 0.00 180 S 8.57 4.35 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.