NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 N 4.5421 8.4249 119.2048 52.9378 40.7780 174.8111 32 E 4.2793 7.9473 124.9383 54.7476 29.2601 173.9276 33 L 4.7558 7.9872 124.2692 54.1519 43.5253 178.7332 34 S 4.2046 8.3013 117.2131 61.7585 62.3717 176.0810 35 Q 3.9679 8.0877 121.4230 58.8385 28.4718 178.0328 36 E 3.9512 7.9354 119.9926 59.4706 29.7040 179.1775 37 R 4.0663 7.9354 117.5505 59.3108 30.2432 178.9498 38 T 3.9091 8.2817 115.8232 66.5837 68.3488 176.6083 39 A 4.0680 8.2090 122.7302 54.8868 18.3427 179.6594 40 R 3.8780 8.0685 117.5111 59.6595 30.1737 178.8008 41 L 4.0412 7.9025 118.3846 57.8087 41.5626 179.2028 42 N 4.3471 8.0695 116.0948 56.2332 38.4721 176.9987 43 E 3.9374 8.5208 121.0084 59.2577 29.6646 178.6370 44 L 4.0083 8.1320 120.3580 58.2980 42.0442 179.0171 45 Q 4.0016 8.1994 118.0732 58.8806 28.7275 178.7289 46 R 3.9151 8.2378 119.0034 59.2093 30.1052 179.0056 47 A 4.0641 8.0234 120.3276 55.2316 18.4502 179.6682 48 L 4.0133 8.2562 117.8741 58.2019 41.7784 180.3073 49 V 3.9813 8.1733 112.5011 64.5535 31.0203 178.6218 50 M 4.1211 8.0574 118.1763 58.7386 31.7484 178.6947 51 M 4.4375 8.3291 120.2136 57.8899 32.0852 178.4618 52 D 4.5141 8.7633 119.5723 57.7537 40.8769 179.1767 53 S 4.2720 7.9823 113.7791 60.9098 62.9785 175.8803 54 D 4.6151 7.5994 120.4573 56.6869 40.9976 178.9199 55 F 3.9985 8.1046 117.1396 59.9512 38.9962 177.1291 56 R 4.2792 7.7358 118.5943 57.8077 30.3487 176.7697 57 Q 4.8573 7.7160 117.8896 55.3139 29.7818 175.7565 58 I 4.4496 7.9952 120.1468 61.5369 37.6425 176.1883 59 A 4.3071 8.7731 129.9434 50.9965 19.4292 178.3109 60 L 4.3953 8.2064 122.2788 53.3044 40.2770 176.3712 61 R 4.6530 7.3803 117.1082 54.3904 34.5845 175.3701 62 Q 4.3522 8.7473 122.3006 55.9825 29.7754 175.4814 63 T 4.6838 8.6549 112.5672 60.0774 72.0938 173.1566 64 R 5.0789 8.3082 120.6279 54.8502 32.6113 175.5193 65 T 4.4045 8.6094 119.8588 61.2935 70.3892 175.5094 66 N 4.5296 8.1629 125.1998 52.2661 37.0874 174.5121 *71 S 4.4381 6.9396 114.5952 56.8875 65.4454 174.6365 72 K 4.9649 7.9050 127.1484 53.8058 34.9341 175.0839 73 K 4.6687 8.7338 125.7508 54.9989 36.8183 178.0036 74 L 4.0202 8.7167 120.3640 57.2393 41.9417 177.4717 75 L 4.9227 7.8470 117.3024 53.2596 44.0689 175.5107 76 H 4.9554 9.5262 122.2610 54.3615 30.8061 174.6528 77 W 5.7023 8.7832 132.9382 57.2988 32.9756 172.9345 78 A 4.1871 8.0721 127.8478 50.7510 23.0157 174.6710 79 D 4.0988 8.1596 118.9322 55.1102 41.9064 177.0451 80 Y 4.2277 8.3706 118.3683 58.1677 36.3480 169.8520 81 L 4.1320 7.3464 122.1715 56.1069 42.5954 176.9411 82 L 3.9695 9.1881 123.4612 55.7865 39.1289 173.6684 83 D 4.4386 8.4318 113.8968 55.1588 39.6944 173.5866 84 S 4.5571 7.7917 110.6193 57.7690 63.1485 174.5905 85 D 4.6859 9.2563 126.8861 56.7765 42.3891 176.7548 86 N 5.0678 7.7518 112.4537 52.8469 38.9278 178.2784 87 K 4.2564 8.4743 113.5652 56.0231 32.9203 175.5158 88 G 4.4145 8.5863 109.1903 44.6214 0.0000 171.2961 89 I 5.6381 9.1651 122.9683 59.5917 41.9291 173.7990 90 M 5.4838 9.3408 126.7508 54.5481 36.1537 173.3956 91 F 5.2208 8.9119 119.2639 55.9826 42.1344 172.6653 92 A 4.8534 8.7183 121.2173 51.5191 19.9867 176.6328 93 R 5.0436 9.4810 117.5522 54.2578 33.2525 174.1866 94 L 4.8398 8.9964 124.3681 53.6457 43.2745 175.6136 95 G 4.2176 8.9692 114.3463 44.4128 0.0000 173.2785 96 W 4.6940 8.8416 119.4657 56.5737 32.2539 175.7764 97 H 5.0580 7.9292 113.2273 54.4202 28.7974 173.3234 98 N 4.5944 7.8497 119.1784 52.5483 39.9134 173.8527 99 P 4.3824 0.0000 0.0000 65.5865 31.6865 177.8560 100 Q 4.0131 8.2657 116.4656 56.7284 28.8067 175.3833 101 Q 3.6979 7.5584 120.3479 54.7179 30.1672 170.3614 *104 P 4.3489 0.0000 0.0000 62.7195 32.4080 175.1073 105 R 4.6227 8.1186 117.1128 54.2518 33.1314 174.9748 106 G 2.9439 8.4801 109.2626 45.2482 0.0000 172.2433 107 E 4.5721 8.5610 128.6636 54.0237 31.9320 174.6635 108 V 4.7448 8.1615 126.4981 61.9489 32.7523 174.9435 109 T 4.7647 9.0206 117.4583 59.7853 72.8753 172.8268 110 K 4.7042 8.5260 124.2317 56.1611 33.8354 175.8025 111 V 5.3015 8.7515 125.4895 60.7788 35.5762 173.9030 112 G 4.6428 8.9159 107.3966 46.0070 0.0000 171.5847 113 Y 5.4871 9.3282 117.5248 56.5064 42.6273 174.8490 114 R 4.7097 8.9146 117.1499 55.9368 33.9553 173.1985 115 I 5.0653 8.4794 119.6896 59.4407 40.0812 175.4612 116 K 4.8557 8.7995 127.2959 56.0222 35.1638 175.7446 117 D 4.3154 9.6010 126.6654 56.0736 39.0010 173.1722 118 E 4.3286 8.0992 110.5499 56.6468 27.7316 174.4561 119 R 5.1073 7.6297 115.8708 54.0387 34.0564 175.1248 120 L 4.7408 9.0408 126.4573 55.1863 43.4034 175.3622 121 E 5.1723 9.4414 125.8109 54.5417 33.3798 174.7776 122 R 4.1515 8.9968 124.8889 55.0194 31.9496 174.9199 123 V 4.5996 8.4866 126.3159 60.7240 34.1693 173.9792 124 W 5.3295 8.4146 135.0000 55.3948 33.9760 173.6110 125 W 4.3747 8.8305 127.3577 55.0900 29.1189 176.4962 126 R 2.7202 7.7617 124.9592 57.6416 29.7102 176.3890 127 Y 4.8167 7.2084 113.2029 54.8863 40.8051 173.6634 128 P 4.4067 0.0000 0.0000 62.3258 31.9966 176.6187 129 D 4.5353 8.4269 121.9304 55.0520 41.4761 176.1303 130 T 4.7326 8.2011 118.2081 61.3705 72.7690 173.1091 131 P 3.9673 0.0000 0.0000 65.9025 31.5931 177.6756 132 A 3.9804 7.9539 119.7411 53.2175 18.7616 178.4331 133 G 3.8483 10.1192 104.2859 45.8079 0.0000 171.8706 134 Q 4.4244 8.0050 115.4466 55.2899 30.9145 173.1217 135 E 4.1376 8.6846 119.8631 55.1864 29.3523 176.1410 136 G 3.2793 8.2659 114.0740 45.9883 0.0000 172.7114 137 V 4.1326 8.1517 123.4367 61.1779 32.5996 174.5863 138 V 4.4688 8.0826 128.6322 61.9111 32.7127 175.0753 139 T 4.6524 8.8977 125.3308 60.8177 71.5370 171.6023 140 P 4.7433 0.0000 0.0000 63.1391 31.4574 175.9256 141 L 4.5019 9.0880 125.2146 55.9302 43.2053 177.1202 142 L 4.9974 7.6463 120.2295 53.2811 45.3849 176.5848 143 S 4.6898 9.3077 121.3917 57.7387 64.7286 172.9992 144 D 4.2591 8.3277 117.2723 55.6660 38.2763 174.6164 145 V 4.5514 7.8808 118.7751 61.2012 33.0106 175.4698 146 E 4.0417 9.0288 127.8182 59.0250 29.7024 177.0184 147 E 4.8128 8.1519 119.4572 54.1242 33.4388 173.3900 148 L 5.2426 8.8343 126.7289 53.5218 44.6178 175.1528 149 N 5.5330 9.0894 121.9881 51.9356 43.4728 173.5833 150 V 4.3578 8.0097 121.1399 60.9944 34.6425 174.5193 151 R 4.4119 8.1336 125.4636 54.1435 33.9916 174.3982 152 F 5.2882 8.8520 120.6267 55.8199 42.3263 173.8693 153 Y 4.0712 8.7186 126.1094 56.8830 39.3470 175.4180 154 D 4.8554 8.1290 125.4307 52.6310 40.5988 176.0645 155 G 3.8057 6.4879 111.7868 46.2448 0.0000 175.2663 156 K 4.1722 7.8059 118.0441 57.2426 33.2371 176.5977 157 Q 4.5967 8.0399 118.3709 53.5879 32.3362 173.7489 158 W 4.8050 8.9595 122.8631 56.5798 29.8368 175.8220 159 I 4.7784 9.2071 116.2927 58.9838 39.9647 175.7405 160 N 4.6146 8.8745 118.3441 55.0207 39.2011 173.8977 161 E 5.3293 8.2691 115.1964 54.4436 33.4879 175.3549 162 W 4.8080 8.2428 128.8050 56.0157 31.0509 174.1373 163 S 4.0958 7.8450 119.3500 59.2795 63.3146 174.3877 164 N 4.0935 6.5590 119.4525 53.4418 38.0612 174.0650 165 E 4.3388 8.4718 125.0533 56.8578 30.3614 177.2391 166 L 4.2774 7.7621 120.3341 56.6051 42.8122 176.2063 167 T 4.7787 7.8177 110.0328 59.8864 70.5243 173.1616 168 L 4.3961 8.3535 125.9251 53.4467 42.6013 175.2305 169 P 3.9467 0.0000 0.0000 62.0014 32.2904 176.2090 170 A 4.2316 8.0489 120.9156 54.9307 19.3224 177.4400 171 A 5.0822 7.6481 114.5126 50.4671 23.4358 175.1834 172 I 4.9247 9.0829 120.4246 59.5295 41.1845 174.6195 173 S 4.7457 9.0995 122.4289 56.4817 64.0985 172.8310 174 V 4.1120 8.0955 129.0075 61.6740 32.7934 174.1096 175 E 4.8500 9.2714 130.1161 54.4637 31.7352 174.2287 176 L 5.1139 8.9029 127.7434 53.4414 44.5200 175.8475 177 T 4.8402 8.6770 121.2491 62.2824 69.4909 173.9049 178 L 4.8346 8.9716 127.6016 53.4644 43.0500 178.7506 179 K 3.9839 8.8078 122.4580 59.3144 32.4184 178.4286 180 D 4.3930 8.0092 116.8890 55.6716 39.9770 177.0819 181 Y 4.4998 7.7626 115.2373 57.2759 39.6640 177.6416 182 G 3.9224 8.1766 107.7891 45.2371 0.0000 173.0853 183 K 4.7895 8.5589 123.6470 56.0392 32.9359 176.6961 184 I 4.6129 9.0561 118.9242 58.8929 40.4139 174.3841 185 A 5.1186 8.4974 126.3944 50.0513 22.3175 175.2204 186 R 4.2352 8.4524 119.5413 54.8472 33.4612 174.0894 187 T 4.7135 8.0918 122.7015 62.5071 70.3979 173.7413 188 Y 4.8259 8.9477 122.8219 56.1771 41.5817 174.6843 189 L 4.8553 8.8117 124.5850 54.5124 42.7667 176.5559 190 T 4.6121 8.1457 113.5297 59.4092 71.0218 172.9011 191 P 4.5050 0.0000 0.0000 62.1996 32.1045 176.5556 192 E 4.1532 8.3554 119.9942 56.9333 30.1894 176.9500 193 G 4.1412 8.6143 109.0483 45.1951 0.0000 173.8716 194 N 4.5846 8.6331 118.3499 53.1507 38.8914 174.8770 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 31 N 8.42 4.54 0.00 2.70 2.89 0.00 0.00 6.94 6.77 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 32 E 7.95 4.28 0.00 2.07 1.91 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 2.24 2.39 0.00 33 L 7.99 4.76 0.00 1.63 1.61 0.92 0.69 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 34 S 8.30 4.20 0.00 4.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.09 3.97 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 36 E 7.94 3.95 0.00 2.06 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 0.00 2.30 2.39 0.00 37 R 7.94 4.07 0.00 1.89 2.02 0.00 3.34 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 38 T 8.28 3.91 4.45 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 1.22 0.00 0.00 39 A 8.21 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.07 3.88 0.00 2.10 2.24 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 41 L 7.90 4.04 0.00 1.89 1.69 0.91 0.90 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 42 N 8.07 4.35 0.00 2.93 2.88 0.00 0.00 6.64 8.43 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 43 E 8.52 3.94 0.00 2.16 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 2.35 2.35 0.00 44 L 8.13 4.01 0.00 1.85 1.83 0.94 0.61 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 45 Q 8.20 4.00 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 46 R 8.24 3.92 0.00 2.06 2.01 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 47 A 8.02 4.06 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 0.00 0.00 48 L 8.26 4.01 0.00 1.77 1.76 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.17 3.98 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 1.02 0.00 0.00 1.06 0.00 0.00 50 M 8.06 4.12 0.00 2.17 2.38 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.88 0.00 51 M 8.33 4.44 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.07 0.00 52 D 8.76 4.51 0.00 2.95 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 53 S 7.98 4.27 0.00 4.05 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 54 D 7.60 4.62 0.00 2.88 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 55 F 8.10 4.00 0.00 1.69 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 0.00 0.00 0.00 0.00 56 R 7.74 4.28 0.00 1.99 2.06 0.00 3.22 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 57 Q 7.72 4.86 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 58 I 8.00 4.45 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.43 0.97 0.00 0.00 59 A 8.77 4.31 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 60 L 8.21 4.40 0.00 1.68 1.68 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.38 4.65 0.00 1.75 1.78 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 62 Q 8.75 4.35 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 63 T 8.65 4.68 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 1.13 0.00 0.00 64 R 8.31 5.08 0.00 1.63 1.81 0.00 3.16 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 65 T 8.61 4.40 4.22 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 0.00 0.00 0.00 1.21 0.00 0.00 66 N 8.16 4.53 0.00 2.70 2.79 0.00 0.00 6.99 7.57 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 *71 S 6.94 4.44 0.00 3.93 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 72 K 7.91 4.96 0.00 1.74 1.71 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.44 7.81 73 K 8.73 4.67 0.00 1.33 1.55 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.37 7.81 74 L 8.72 4.02 0.00 1.73 1.80 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.85 4.92 0.00 1.59 1.65 0.59 1.02 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 76 H 9.53 4.96 0.00 3.29 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.78 5.70 0.00 3.64 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.07 4.19 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 79 D 8.16 4.10 0.00 2.23 1.54 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 80 Y 8.37 4.23 0.00 3.12 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 81 L 7.35 4.13 0.00 1.87 1.69 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 82 L 9.19 3.97 0.00 1.97 1.87 1.29 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.43 4.44 0.00 2.80 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 84 S 7.79 4.56 0.00 4.09 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 85 D 9.26 4.69 0.00 2.73 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 86 N 7.75 5.07 0.00 2.83 2.08 0.00 0.00 6.31 7.20 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 87 K 8.47 4.26 0.00 1.81 1.13 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.73 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.65 7.81 88 G 8.59 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.56 4.57 0.00 1.98 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 2.18 2.19 0.00 108 V 8.16 4.74 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 0.84 0.00 0.00 0.85 0.00 0.00 109 T 9.02 4.76 4.46 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 1.25 0.00 0.00 110 K 8.53 4.70 0.00 1.63 1.47 0.00 1.06 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.51 1.05 7.81 111 V 8.75 5.30 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 0.03 0.00 0.00 0.90 0.00 0.00 112 G 8.92 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 9.33 5.49 0.00 3.23 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 0.00 114 R 8.91 4.71 0.00 1.98 2.14 0.00 2.78 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 115 I 8.48 5.07 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.12 1.05 0.00 0.00 116 K 8.80 4.86 0.00 1.84 1.71 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.46 7.81 117 D 9.60 4.32 0.00 2.87 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 0.00 118 E 8.10 4.33 0.00 2.19 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 2.29 0.00 119 R 7.63 5.11 0.00 1.87 1.81 0.00 3.14 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 120 L 9.04 4.74 0.00 1.86 1.65 1.25 0.95 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 0.00 121 E 9.44 5.17 0.00 1.93 1.77 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 2.23 2.42 0.00 122 R 9.00 4.15 0.00 1.48 1.58 0.00 2.90 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 0.00 123 V 8.49 4.60 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 -0.18 0.00 0.00 0.83 0.00 0.00 124 W 8.41 5.33 0.00 3.19 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 0.00 125 W 8.83 4.37 0.00 3.21 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 R 7.76 2.72 0.00 0.67 0.66 0.00 2.68 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 127 Y 7.21 4.82 0.00 2.98 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 0.00 128 P 0.00 4.41 0.00 2.05 1.98 0.00 3.77 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 2.12 0.00 129 D 8.43 4.54 0.00 2.62 2.57 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 0.00 130 T 8.20 4.73 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 1.23 0.00 0.00 131 P 0.00 3.97 0.00 2.03 2.14 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 132 A 7.95 3.98 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 G 10.12 3.85 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 0.00 0.00 0.00 134 Q 8.01 4.42 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 135 E 8.68 4.14 0.00 1.94 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 2.22 2.26 0.00 136 G 8.27 3.28 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 0.00 0.00 0.00 137 V 8.15 4.13 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 0.96 0.00 0.00 0.88 0.00 0.00 138 V 8.08 4.47 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 0.80 0.00 0.00 0.79 0.00 0.00 139 T 8.90 4.65 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 1.18 0.00 0.00 140 P 0.00 4.74 0.00 2.09 2.08 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 141 L 9.09 4.50 0.00 1.64 1.85 1.15 0.79 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 0.00 142 L 7.65 5.00 0.00 1.77 1.52 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 143 S 9.31 4.69 0.00 4.04 3.89 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 0.00 0.00 0.00 144 D 8.33 4.26 0.00 2.82 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 0.00 145 V 7.88 4.55 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 1.11 0.00 0.00 1.10 0.00 0.00 146 E 9.03 4.04 0.00 2.03 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 2.36 2.27 0.00 147 E 8.15 4.81 0.00 2.07 1.76 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 2.29 2.38 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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 0.00 165 E 8.47 4.34 0.00 1.94 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 2.38 0.00 166 L 7.76 4.28 0.00 1.55 1.67 0.91 0.83 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 0.00 167 T 7.82 4.78 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 168 L 8.35 4.40 0.00 1.67 1.48 0.92 1.00 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 0.00 169 P 0.00 3.95 0.00 1.79 0.49 0.00 3.36 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.03 0.00 170 A 8.05 4.23 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 0.00 171 A 7.65 5.08 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 0.00 172 I 9.08 4.92 1.88 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 1.12 0.61 0.65 0.00 0.00 173 S 9.10 4.75 0.00 2.93 2.96 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 0.00 174 V 8.10 4.11 1.79 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 0.72 0.00 0.00 -0.05 0.00 0.00 175 E 9.27 4.85 0.00 1.82 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 176 L 8.90 5.11 0.00 1.58 1.57 0.95 0.47 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 0.00 177 T 8.68 4.84 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 1.22 0.00 0.00 178 L 8.97 4.83 0.00 1.80 1.82 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.81 3.98 0.00 1.72 1.85 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.39 7.81 180 D 8.01 4.39 0.00 2.28 2.55 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 0.00 0.00 0.00 181 Y 7.76 4.50 0.00 3.02 2.96 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 0.00 182 G 8.18 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 0.00 0.00 0.00 183 K 8.56 4.79 0.00 1.62 1.72 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.42 7.81 184 I 9.06 4.61 1.79 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 1.32 1.25 0.87 0.00 0.00 185 A 8.50 5.12 0.97 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 0.00 186 R 8.45 4.24 0.00 1.61 1.37 0.00 2.96 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.18 0.00 187 T 8.09 4.71 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 1.30 0.00 0.00 188 Y 8.95 4.83 0.00 2.76 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 0.00 189 L 8.81 4.86 0.00 1.56 1.60 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 190 T 8.15 4.61 4.21 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 1.19 0.00 0.00 191 P 0.00 4.50 0.00 2.10 2.06 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 192 E 8.36 4.15 0.00 1.97 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 2.33 2.26 0.00 193 G 8.61 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 0.00 0.00 0.00 194 N 8.63 4.58 0.00 2.70 2.74 0.00 0.00 6.83 7.56 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 * Residues marked with a * may have inaccurate shift predictions.