NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.7744 8.0232 122.2806 51.0273 20.4614 176.3840 3 P 4.1289 0.0000 0.0000 61.3658 32.1111 174.7079 4 K 4.1729 8.7009 125.3826 59.4490 33.7420 176.8619 5 A 4.6463 7.8467 120.5253 50.4916 23.2153 175.2328 6 V 4.6225 8.7956 123.2257 61.4871 33.1529 174.6300 7 L 5.0178 8.9165 129.4651 53.9498 43.3863 176.4947 8 V 4.6239 8.4801 115.9601 59.5562 35.8123 174.8591 9 G 4.0315 7.6066 108.8556 45.9767 0.0000 172.9150 10 L 4.6624 7.9219 120.2497 52.8759 42.8289 175.0274 11 P 4.5342 0.0000 0.0000 64.3598 31.5698 177.1121 12 G 4.0864 9.0756 111.4292 45.4666 0.0000 175.0497 13 S 4.0604 7.9299 113.0036 59.1066 63.4636 175.1296 14 G 3.8613 7.8274 110.1982 46.5806 0.0000 175.4282 15 K 3.8452 7.7730 121.6346 59.3969 32.0327 178.8129 16 S 4.1031 8.0038 114.6136 61.9849 62.8778 176.4957 17 T 3.8700 7.8954 117.6787 66.9663 68.1758 176.5895 18 I 3.8442 8.2649 122.0865 64.0729 37.0380 178.6399 19 G 3.6779 8.3706 106.9517 47.9161 0.0000 175.8313 20 R 3.9369 7.9806 120.7592 59.0942 30.1677 179.3934 21 R 3.9309 7.9161 117.7302 59.1770 29.9748 178.9807 22 L 3.9784 8.3448 120.2588 57.9900 42.0989 178.7869 23 A 3.9885 8.1986 120.8995 54.9124 17.9979 179.6044 24 K 3.8642 8.1373 118.0261 59.6059 32.1037 178.9809 25 A 4.0030 7.8848 119.9089 55.1009 18.3964 179.1645 26 L 4.1718 8.1397 116.1224 54.8151 42.6193 176.8732 27 G 3.7802 7.7037 105.9950 46.7636 0.0000 172.7973 28 V 4.5775 7.8882 109.9849 58.7527 36.4551 177.3004 29 G 3.8150 8.5946 108.7473 46.3792 0.0000 172.2544 30 L 5.1372 8.4794 124.9097 53.0406 43.9238 175.0680 31 L 4.5741 8.8366 129.1046 53.2772 44.7085 174.3580 32 D 5.2720 8.5538 126.9147 52.9970 42.1855 177.0253 33 T 3.9034 8.9157 118.6141 65.0471 68.0777 176.1754 34 D 4.4831 8.5879 121.9464 57.1906 40.7894 178.8301 35 V 3.6492 7.9352 118.2161 65.8392 31.6607 177.7823 36 A 4.1449 8.2097 120.6416 55.0920 18.1433 179.6911 37 I 3.6148 7.8480 118.3389 64.6798 37.2348 178.5052 38 E 4.3158 7.8100 119.8454 59.1329 29.0756 179.5386 39 Q 4.0407 8.1730 117.0516 58.5435 28.7943 178.2761 40 R 4.3078 7.8074 117.9490 57.3057 30.6411 177.7132 41 T 4.5145 7.8489 107.4927 60.2770 70.0790 175.1309 42 G 4.0079 8.1178 108.7577 46.1049 0.0000 173.3865 43 R 4.7202 7.7392 117.5688 53.1168 33.8144 175.5907 44 S 4.5484 8.3913 115.8926 58.1199 65.1727 175.1951 45 I 3.7939 8.6566 123.6123 64.7110 36.8961 178.2838 46 A 3.9330 8.0276 120.7872 55.6631 18.1545 179.0776 47 D 4.3404 8.0427 115.6982 57.4153 41.1954 178.5862 48 I 3.7757 8.0315 120.3482 64.4022 37.0943 178.1715 49 F 3.7494 8.9158 121.5993 61.1962 38.9999 177.0576 50 A 4.1148 8.3773 119.6669 55.6640 18.3279 179.4169 51 T 4.0289 7.8326 113.4003 66.8360 68.7595 176.1465 52 D 4.3508 8.4515 121.3459 55.3485 41.6037 178.2903 53 G 3.9679 7.9124 104.0804 45.0775 0.0000 173.7578 54 E 2.9916 8.6021 119.4895 59.1977 29.5154 179.2649 55 Q 3.9442 7.9014 117.2491 58.9693 28.8422 178.3886 56 E 3.8730 7.9926 119.7840 59.0310 29.7317 178.0804 57 F 3.9716 8.0849 120.7804 61.7050 39.3573 177.5188 58 R 3.8359 8.3540 117.6391 58.9116 29.6373 179.1098 59 R 3.8279 7.6828 118.5579 59.2987 30.1274 178.6788 60 I 3.5991 7.5564 119.6382 64.2045 37.0731 177.8457 61 E 3.6723 7.8883 120.5278 59.3311 29.2277 178.5920 62 E 3.9044 8.0385 119.1605 59.3316 29.7631 178.4354 63 D 4.3297 7.7929 119.1732 57.2831 40.8171 179.0313 64 V 3.5618 7.5054 118.3055 65.7609 31.5897 178.1437 65 V 3.5496 8.2822 118.3449 66.1440 31.0519 178.2503 66 R 3.8805 8.4014 117.7902 59.1988 29.9294 178.7812 67 A 4.0500 7.9022 120.1399 55.2852 18.3106 179.6025 68 A 3.9756 8.0349 119.1804 55.2537 18.2025 179.8276 69 L 3.9451 8.1362 117.2238 57.5011 41.3544 179.2653 70 A 4.2202 7.4323 118.3551 53.9045 19.1723 178.3114 71 D 4.6303 7.8792 115.8993 54.6614 42.0598 176.5550 72 H 4.7092 8.1292 119.5676 55.2610 30.9520 174.2401 73 D 4.8883 7.9486 124.9694 53.5685 41.9200 176.3932 74 G 4.1655 7.0812 109.9024 46.1290 0.0000 173.0975 75 V 4.5168 8.7598 123.9334 62.0735 33.3628 175.4001 76 L 5.0267 9.2474 129.8980 53.3826 44.7296 174.7381 77 S 4.9155 9.2285 122.4567 56.6197 63.8035 172.5553 78 L 4.4912 8.4809 130.9004 54.0980 42.8217 176.7728 79 G 3.8885 9.0867 114.0350 46.5867 0.0000 174.7605 80 G 3.9527 9.1995 112.0650 47.7683 0.0000 174.4071 81 G 4.0522 8.1226 106.2305 45.0873 0.0000 175.0484 82 A 4.5721 8.4688 123.8715 54.4915 18.5492 180.4726 83 V 3.7539 7.8966 114.5261 64.6084 31.4636 177.5146 84 T 3.9087 8.0292 110.4401 63.4518 68.9452 174.8173 85 S 4.5464 8.0375 120.4011 56.8254 64.1170 172.8922 86 P 4.3511 0.0000 0.0000 65.7765 31.1026 178.8906 87 G 3.7960 7.9733 105.2919 47.0487 0.0000 175.8247 88 V 3.5748 7.6854 119.9972 66.0521 31.4902 178.1380 89 R 3.8875 7.7544 116.1347 59.2443 29.6316 178.6746 90 A 4.1215 8.2094 120.4918 55.0982 18.1903 179.6080 91 A 4.0466 8.0201 118.3855 55.1522 18.7090 179.4813 92 L 4.1269 8.3343 117.6712 56.5515 41.5180 177.6876 93 A 4.1814 7.0608 121.2171 53.7741 18.4731 177.5732 94 G 3.9819 9.1303 111.6236 45.4502 0.0000 173.1160 95 H 4.6392 7.7587 116.3548 54.6580 30.3299 175.0669 96 T 4.2047 8.3063 118.1893 63.5060 69.4029 173.9949 97 V 4.6790 8.8284 127.7596 61.0903 34.3776 174.4685 98 V 4.5957 9.0466 129.6951 61.6808 33.1461 173.9308 99 Y 5.0562 9.2865 131.2340 56.5096 39.9891 174.6984 100 L 4.5205 9.0366 128.9996 53.9814 41.5172 175.1985 101 E 3.9201 9.1793 126.3808 54.1585 31.0400 174.6755 102 I 5.1720 8.0430 119.6553 58.8037 41.1393 175.4177 103 S 4.3881 9.6951 118.2859 57.8278 63.9326 175.3328 104 A 4.2020 8.5438 122.9974 55.0064 18.0241 180.0612 105 A 3.9535 7.9490 119.1667 55.3976 18.5599 179.3243 106 E 4.0152 8.5327 118.1612 59.1253 29.7091 178.9731 107 G 4.1223 8.6086 107.6325 47.4289 0.0000 175.7151 108 V 3.6313 8.0915 120.2232 65.3481 31.6146 177.5377 109 R 4.0372 8.1652 117.8593 59.8235 29.9874 178.4610 110 R 4.0970 8.0487 116.5479 59.1721 30.1620 177.4711 111 T 4.2172 8.0110 108.7737 60.8073 69.1356 174.8996 112 G 3.5898 7.3537 108.8731 43.4863 0.0000 173.9220 113 G 3.4567 8.3530 117.7540 44.1787 0.0000 174.7559 114 N 4.6382 7.3418 115.6499 52.5182 38.1123 175.0332 115 T 4.1506 7.9705 109.9875 62.5318 71.6178 174.4333 *121 A 4.2206 7.7665 122.2477 51.7915 21.3652 178.1948 122 G 4.0366 7.9617 107.0520 44.9814 0.0000 176.2336 123 P 4.2953 0.0000 0.0000 64.7194 31.4560 176.3507 124 D 4.7460 7.9583 116.4880 53.9581 41.6316 177.9417 125 R 3.8792 7.9352 117.7704 59.6612 28.8580 178.5074 126 A 4.0813 7.9753 120.5922 54.9485 18.5464 179.0360 127 E 3.8949 8.4937 118.0403 59.5024 29.7848 179.2855 128 K 4.0640 8.0396 118.0453 59.4113 32.0047 178.6633 129 Y 4.1252 8.3746 120.2190 60.7438 38.7582 177.9276 130 R 3.8355 8.4512 119.0395 59.1560 30.1085 178.9444 131 A 3.9616 7.8553 120.3787 54.6904 18.4124 179.1092 132 L 3.8076 8.3237 119.5739 58.7713 42.1112 179.2877 133 M 3.9540 7.8250 116.3564 58.0300 31.0854 178.1025 134 A 3.9400 7.6558 121.1344 54.8359 18.4933 179.2530 135 K 3.9710 7.6461 117.2759 59.4909 32.6714 178.7907 136 R 3.8159 8.0218 117.7825 58.2433 30.2845 178.6451 137 A 4.0973 7.9263 120.6722 54.7917 18.3710 177.9683 138 P 4.2118 0.0000 0.0000 65.4097 31.3726 178.8793 139 L 3.9054 7.3771 117.6881 57.7413 41.7372 178.8098 140 Y 3.9610 7.2970 116.6992 60.8661 37.3910 178.3165 141 R 4.0008 7.5821 118.4677 59.5423 30.1830 178.1589 142 R 4.0198 7.5850 117.0000 59.6135 30.2871 178.5536 143 V 3.8464 7.5545 109.2280 61.8478 32.1701 176.7501 144 A 4.3307 7.3700 121.9485 52.7019 18.7431 177.1107 145 T 4.5471 8.5953 110.9806 61.9326 71.0655 174.4152 146 M 4.8427 8.0243 121.9203 53.6227 35.5125 174.0032 147 R 5.0690 8.7887 124.3546 54.3593 33.1885 175.2814 148 V 4.2125 8.7288 123.5084 60.8491 34.4797 174.2905 149 D 4.6725 8.7747 128.4392 54.4217 40.1661 175.4612 150 T 4.3079 8.6437 117.1520 61.3828 69.5845 176.4230 151 N 4.2402 8.5256 121.6550 56.2280 38.5591 175.8300 152 R 4.5815 7.6346 109.1787 55.3014 31.1246 175.8889 153 R 4.0273 7.1847 115.5377 56.0229 30.7030 176.8204 154 N 4.6506 8.4249 119.1002 51.8871 39.7196 174.3473 155 P 4.3046 0.0000 0.0000 66.0093 31.3159 179.2378 156 G 3.5790 8.0657 103.6510 47.5633 0.0000 175.5759 157 A 3.9991 7.8933 122.6726 54.8941 18.5203 179.6243 158 V 3.4985 7.9684 116.9716 66.1570 31.4977 178.4927 159 V 3.5856 7.9391 117.8852 66.0130 31.3962 178.0355 160 R 3.8956 8.3040 118.2559 59.5942 29.7107 178.2953 161 H 4.0624 8.2141 116.7487 59.4131 30.0552 177.0069 162 I 3.8276 7.8946 121.2688 64.4841 37.0122 178.2612 163 L 3.9834 8.1156 120.2039 57.9523 41.2949 179.6160 164 S 4.3719 8.0098 112.0779 60.0560 62.9704 175.0038 165 R 4.6240 7.6591 120.6387 55.9566 30.1910 175.7899 166 L 4.8316 7.6137 117.1043 54.5889 42.8881 177.0464 167 Q 4.3221 8.0985 116.9021 55.5151 29.6285 175.7307 168 V 4.4178 7.8207 117.8988 60.2619 34.3412 173.4949 169 P 4.3835 0.0000 0.0000 62.8543 31.9196 176.4336 170 S 4.3832 8.4808 114.6528 58.4775 63.1570 173.9631 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 A 8.02 4.77 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 3 P 0.00 4.13 0.00 2.16 2.16 0.00 3.79 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 2.02 2.25 0.00 4 K 8.70 4.17 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.46 7.81 5 A 7.85 4.65 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 6 V 8.80 4.62 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 0.83 0.00 0.00 0.96 0.00 0.00 7 L 8.92 5.02 0.00 1.61 1.56 0.93 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 8 V 8.48 4.62 1.82 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 0.72 0.00 0.00 0.87 0.00 0.00 9 G 7.61 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 0.00 0.00 0.00 10 L 7.92 4.66 0.00 1.83 1.73 1.07 1.28 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 11 P 0.00 4.53 0.00 2.27 2.07 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 12 G 9.08 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 13 S 7.93 4.06 0.00 4.07 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 14 G 7.83 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 15 K 7.77 3.85 0.00 1.89 1.83 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.47 7.81 16 S 8.00 4.10 0.00 3.91 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 17 T 7.90 3.87 4.40 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 1.21 0.00 0.00 18 I 8.26 3.84 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 1.58 0.98 0.91 0.00 0.00 19 G 8.37 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 20 R 7.98 3.94 0.00 2.06 1.99 0.00 3.14 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 1.66 1.81 0.00 21 R 7.92 3.93 0.00 2.06 1.98 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 22 L 8.34 3.98 0.00 1.84 1.86 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.20 3.99 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 24 K 8.14 3.86 0.00 1.93 2.05 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 A 7.88 4.00 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 26 L 8.14 4.17 0.00 1.63 1.74 0.92 0.80 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 27 G 7.70 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 28 V 7.89 4.58 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 0.69 0.00 0.00 1.02 0.00 0.00 29 G 8.59 3.81 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 0.00 0.00 0.00 30 L 8.48 5.14 0.00 1.65 1.58 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.84 4.57 0.00 1.27 1.23 0.77 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.55 5.27 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.92 3.90 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 34 D 8.59 4.48 0.00 2.95 2.84 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 35 V 7.94 3.65 2.23 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 1.06 0.00 0.00 0.95 0.00 0.00 36 A 8.21 4.14 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 37 I 7.85 3.61 2.08 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.95 0.00 0.00 38 E 7.81 4.32 0.00 2.23 2.03 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 2.60 2.48 0.00 39 Q 8.17 4.04 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 40 R 7.81 4.31 0.00 1.82 1.97 0.00 3.11 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.87 0.00 41 T 7.85 4.51 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 1.23 0.00 0.00 42 G 8.12 4.01 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 0.00 43 R 7.74 4.72 0.00 1.92 1.82 0.00 3.15 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 44 S 8.39 4.55 0.00 4.07 4.02 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 45 I 8.66 3.79 1.86 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.08 0.75 0.00 0.00 46 A 8.03 3.93 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 47 D 8.04 4.34 0.00 2.79 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 48 I 8.03 3.78 2.26 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 1.15 0.00 0.00 49 F 8.92 3.75 0.00 3.07 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 50 A 8.38 4.11 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 51 T 7.83 4.03 4.31 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 1.23 0.00 0.00 52 D 8.45 4.35 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 53 G 7.91 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 0.00 0.00 0.00 54 E 8.60 2.99 0.00 1.89 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 2.37 2.36 0.00 55 Q 7.90 3.94 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 56 E 7.99 3.87 0.00 2.04 2.03 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 2.45 2.41 0.00 57 F 8.08 3.97 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.35 3.84 0.00 1.97 1.95 0.00 3.45 0.00 0.00 3.46 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.82 0.00 59 R 7.68 3.83 0.00 1.97 1.98 0.00 3.06 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 60 I 7.56 3.60 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 0.78 0.00 0.00 61 E 7.89 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.43 4.22 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 71 D 7.88 4.63 0.00 2.78 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 72 H 8.13 4.71 0.00 3.04 3.34 0.00 5.93 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.95 4.89 0.00 2.58 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 74 G 7.08 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.76 4.52 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 0.99 0.00 0.00 0.95 0.00 0.00 76 L 9.25 5.03 0.00 1.79 1.50 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.23 4.92 0.00 3.89 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 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0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 133 M 7.83 3.95 0.00 2.02 2.20 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 2.42 2.50 0.00 134 A 7.66 3.94 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 0.00 135 K 7.65 3.97 0.00 1.74 2.08 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.40 7.81 136 R 8.02 3.82 0.00 1.59 1.09 0.00 3.20 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 137 A 7.93 4.10 1.51 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 0.00 138 P 0.00 4.21 0.00 2.10 2.08 0.00 3.50 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 2.10 2.14 0.00 139 L 7.38 3.91 0.00 1.44 1.52 0.84 0.84 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 0.00 140 Y 7.30 3.96 0.00 1.84 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 0.00 141 R 7.58 4.00 0.00 2.06 2.09 0.00 3.33 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 142 R 7.59 4.02 0.00 2.04 2.09 0.00 3.29 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 143 V 7.55 3.85 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 0.82 0.00 0.00 1.04 0.00 0.00 144 A 7.37 4.33 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.60 4.55 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 146 M 8.02 4.84 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 147 R 8.79 5.07 0.00 1.73 1.95 0.00 3.34 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 148 V 8.73 4.21 2.03 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 0.89 0.00 0.00 0.98 0.00 0.00 149 D 8.77 4.67 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.31 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 1.15 0.00 0.00 151 N 8.53 4.24 0.00 2.89 2.95 0.00 0.00 6.69 7.23 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 0.00 152 R 7.63 4.58 0.00 1.84 1.96 0.00 3.03 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 153 R 7.18 4.03 0.00 1.86 1.88 0.00 3.08 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 154 N 8.42 4.65 0.00 2.91 2.93 0.00 0.00 6.16 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.30 0.00 2.17 2.15 0.00 3.59 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 2.11 2.16 0.00 156 G 8.07 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 7.89 4.00 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 0.00 158 V 7.97 3.50 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 0.97 0.00 0.00 0.98 0.00 0.00 159 V 7.94 3.59 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 1.06 0.00 0.00 1.00 0.00 0.00 160 R 8.30 3.90 0.00 2.01 1.98 0.00 3.20 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 161 H 8.21 4.06 0.00 3.15 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.89 3.83 2.00 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 1.55 0.61 0.92 0.00 0.00 163 L 8.12 3.98 0.00 1.82 1.73 0.94 1.00 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 0.00 164 S 8.01 4.37 0.00 4.02 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 0.00 165 R 7.66 4.62 0.00 1.83 1.91 0.00 2.87 0.00 0.00 3.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 166 L 7.61 4.83 0.00 1.59 1.60 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 167 Q 8.10 4.32 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 168 V 7.82 4.42 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 0.93 0.00 0.00 169 P 0.00 4.38 0.00 2.08 1.97 0.00 3.70 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 2.02 2.08 0.00 170 S 8.48 4.38 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.