NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4672 8.3293 119.1304 54.7127 30.5613 176.1665 4 N 5.1390 8.0158 115.4667 51.6105 38.6588 171.9369 5 K 5.2592 8.2221 117.7168 55.4148 36.3908 176.7079 6 I 4.8721 8.9986 116.9861 59.4496 41.4314 174.1549 7 T 5.4283 8.5570 117.8490 61.9094 71.7044 173.8685 8 A 4.5806 9.4185 128.1916 51.8794 22.3067 176.5107 9 G 4.0639 9.6837 110.8364 46.5865 0.0000 174.4767 10 G 3.9382 8.5147 104.7901 45.4771 0.0000 174.0598 11 L 4.6153 8.2194 122.4282 53.3210 43.8452 175.7008 12 E 5.0312 8.2004 119.4552 55.3163 31.4211 175.3513 13 F 4.9215 9.3106 122.4483 54.9317 42.8661 174.1621 14 L 4.8409 8.9973 123.2254 53.6659 43.3541 175.6198 15 V 4.2626 8.3796 124.2455 60.9605 33.2092 175.0550 16 R 4.6042 7.9531 122.6754 54.4839 33.1702 174.2173 17 F 4.5109 8.7328 119.8376 57.0339 39.5846 175.3198 18 A 4.3649 8.6953 125.0716 52.4211 19.0694 176.6565 19 A 4.7900 9.1922 122.1758 49.3866 22.1197 176.1625 20 P 4.2295 0.0000 0.0000 66.1288 31.4056 178.6698 21 T 4.2019 7.7649 104.8921 63.0659 69.1379 175.1720 22 D 4.5670 8.3452 122.7466 55.1753 40.7827 177.6877 23 R 3.8812 7.7709 120.5899 59.5562 29.9439 178.0020 24 L 3.9548 7.8591 119.5735 58.0008 42.2205 178.8494 25 K 3.9816 8.0060 118.3717 59.9525 32.3021 179.0968 26 I 3.6987 7.5893 120.2026 64.0910 37.1439 177.4131 27 N 4.4392 8.1562 116.7599 57.0153 39.0003 176.2011 28 D 4.5424 8.3592 120.3773 57.0633 40.7795 179.2798 29 L 4.2993 7.8384 119.1527 55.3733 41.9833 178.8054 *31 I 3.9624 7.7278 118.8986 60.9869 39.2980 177.8184 32 D 4.3474 8.2205 120.1034 57.6334 40.4466 179.1058 33 T 4.0240 8.1687 116.2792 66.6159 68.5097 176.4713 34 A 3.8659 7.2577 122.0651 55.2030 18.3001 179.7228 35 R 3.8823 8.0821 116.4319 59.2275 30.1103 179.0829 36 W 4.5928 8.3509 128.1286 60.4133 30.4659 177.6188 37 L 3.7187 8.0782 119.7257 57.9118 41.9463 178.6227 38 K 4.0880 8.1458 119.3586 59.7480 31.9982 178.5199 39 E 4.0685 8.4734 118.0331 59.5139 29.4885 179.3728 40 S 4.3538 8.3173 113.4167 59.4438 63.0592 175.5677 41 G 3.9037 7.8345 109.5716 45.7859 0.0000 173.8900 42 S 4.5604 7.6856 112.3201 57.7648 63.5178 174.6764 43 T 4.0177 7.7484 117.9479 64.5802 68.7579 172.9327 44 Q 4.7607 8.9898 123.4659 52.7618 32.9145 176.4101 45 W 4.3094 8.7352 116.1214 59.9236 27.6722 178.3222 46 S 3.3742 6.9736 114.5380 61.2371 62.1448 176.1924 47 D 4.2247 8.0012 122.4026 57.1533 40.3200 178.7759 48 I 3.7938 7.6354 119.0393 63.7823 37.2010 177.9539 49 L 4.0331 7.6687 120.8027 58.5763 42.1003 178.4102 50 H 4.1537 8.0696 115.1025 58.1399 29.1455 177.1659 51 G 3.9883 8.1834 108.6291 44.7720 0.0000 172.0780 52 F 4.5941 8.6281 116.2553 55.6968 42.4779 175.8090 53 D 4.7478 8.4548 124.9897 53.6975 39.8255 177.7040 54 V 3.8636 7.4699 113.4250 64.3294 32.4179 178.0009 55 H 4.4836 8.0957 115.4612 57.5563 29.1387 175.4859 56 N 5.1219 7.9360 114.9109 52.3573 40.0429 176.2566 57 I 3.7233 8.1761 122.1167 64.6596 36.9804 177.4719 58 E 3.9127 8.1570 119.3746 59.4076 29.4956 178.5333 59 Q 3.9530 8.0292 118.9972 59.2072 29.1289 178.0874 60 R 3.9447 8.0798 119.0955 59.3793 30.1337 179.1626 61 I 3.7520 8.0585 119.6828 64.4956 36.9107 178.2458 62 E 4.0100 8.2770 118.5186 59.2319 29.3961 178.6229 63 L 4.3674 7.9985 116.0479 53.9673 42.0928 176.8292 64 G 3.7357 7.9544 106.9668 47.0712 0.0000 174.1929 65 E 4.8176 8.5085 116.8841 54.8034 31.3320 175.6995 66 V 4.6702 7.9259 120.5817 61.0846 34.5671 173.7641 67 A 4.4536 8.5983 129.9437 50.2364 21.0742 175.2408 68 L 4.9263 8.3721 122.9303 52.9873 44.7696 175.8544 69 F 4.9761 9.0590 120.6864 55.8465 42.1145 173.9291 70 E 5.3025 9.1791 123.7190 54.3965 33.4426 176.4351 71 T 4.1204 8.7013 115.7559 61.4391 69.8590 176.1531 72 E 3.9040 8.5068 117.8188 58.9734 29.6766 178.4383 73 A 4.1211 7.8051 119.2863 53.3159 18.6878 178.0068 74 G 3.9557 8.3257 104.3300 44.7014 0.0000 174.0429 75 A 4.0175 7.8737 122.9660 51.7500 18.8979 177.2614 76 L 4.4687 8.3360 123.5985 54.0066 41.7676 176.1710 77 A 4.0016 8.8602 131.3846 54.1894 19.2320 177.1111 78 G 4.2141 7.4860 101.4245 45.2654 0.0000 171.9647 79 A 5.6272 7.9571 121.1692 50.1189 22.4562 175.5625 *81 I 4.1082 8.0379 117.6090 61.7189 38.3897 175.3483 82 I 5.0285 8.8518 128.4549 59.0798 40.1220 173.4139 83 R 4.4304 9.2398 128.7507 55.8438 30.7092 177.6645 84 K 4.5826 9.5111 123.4122 57.2949 32.8846 176.8263 85 T 4.8561 7.4719 107.7349 58.7210 71.7865 171.8190 86 P 3.8211 0.0000 0.0000 62.3301 31.9565 176.9755 87 S 4.4269 8.7147 116.9398 57.9048 65.0917 175.0614 88 D 4.3495 8.6200 120.8776 57.2689 40.3934 178.9999 89 W 4.0958 8.1806 128.1985 60.5944 30.8566 177.4918 90 D 4.4216 8.2880 118.8326 57.8530 40.3761 179.0417 91 T 3.8003 7.9748 116.1582 66.5963 68.1899 176.2608 92 D 4.2694 7.4933 118.9207 57.2279 41.3576 177.7502 93 L 3.6621 7.6091 120.0433 57.5026 42.3015 178.2873 94 W 4.1159 8.5369 117.4696 54.9800 29.5868 178.6900 95 E 3.6085 8.3880 117.3047 57.0327 29.3514 176.6042 96 D 4.4055 9.2857 125.6911 58.4417 40.9356 177.2579 97 L 4.2267 8.3036 116.9014 55.7103 41.9551 178.5138 98 A 4.1881 7.9677 121.9885 54.3200 18.3770 178.6884 99 I 3.9698 7.6332 107.9994 62.5830 38.2208 176.2977 100 D 4.5138 7.9621 124.1719 54.3850 40.4609 176.6996 101 K 4.3128 8.5925 126.1744 55.4167 32.5938 175.3607 102 A 4.7736 8.3512 125.6358 50.0020 22.3247 174.7923 103 Y 5.0319 8.3540 118.1575 57.2870 40.2827 174.5286 104 Y 4.9103 8.8784 121.2374 56.2719 40.2131 175.3600 105 L 4.5053 9.0369 126.7842 55.0400 41.3735 176.6083 106 H 4.6368 9.2594 121.3575 56.9481 29.1284 175.9061 107 R 4.6328 7.8840 116.4896 54.3298 32.8694 175.3058 108 I 4.4657 7.9438 120.8078 59.2732 40.5134 175.1999 *110 V 4.0115 8.0459 120.7113 62.4405 32.4368 175.5580 111 S 4.4283 8.7341 121.9373 58.2507 63.8029 175.4102 112 R 3.3839 8.5089 122.1093 59.2269 29.9271 178.5490 113 A 3.7994 7.9046 119.3251 54.3874 18.3287 177.7897 114 F 4.7145 7.7588 113.0420 57.1877 39.3902 175.9693 115 S 4.4757 7.8768 115.9832 59.0091 63.7254 174.3633 116 G 3.9937 8.9933 108.1207 45.9707 0.0000 173.8148 117 I 4.5212 7.3634 110.8760 59.7507 38.3510 175.5750 118 S 3.7921 8.3205 114.4250 59.8816 60.2921 174.5767 119 L 3.9341 7.3804 122.0454 58.0013 42.1579 179.0817 120 S 4.0387 8.0131 112.2659 61.0171 63.4646 175.2611 121 K 3.9535 7.8883 120.9808 59.3892 32.1319 179.3023 122 Q 4.4091 7.6104 117.3622 56.1182 28.1976 178.4111 *124 I 4.2651 7.9314 120.4681 61.7087 39.3656 177.6375 125 Y 4.2122 8.2456 120.7131 60.5340 38.4177 177.7683 126 F 4.0244 8.6500 121.4961 61.3699 39.4502 176.8550 127 A 3.9876 8.3209 119.7500 55.2363 18.1771 179.2684 128 E 3.8358 8.1554 116.8860 59.5661 29.5127 179.7866 129 K 3.7322 7.7447 118.6242 59.0271 31.7795 179.0990 130 L 3.8294 7.5456 120.0859 58.0606 42.3159 178.7903 131 G 3.6939 8.2918 105.7873 47.9953 0.0000 175.5124 132 I 3.6607 7.3955 121.0629 63.8051 37.1316 178.8436 133 E 3.9643 7.7887 115.4239 56.8290 29.6889 177.0662 *135 S 4.0860 7.9539 110.8961 57.8692 64.2180 174.2455 136 V 3.9888 7.7895 120.9468 60.4963 32.2320 173.5800 137 P 4.1492 0.0000 0.0000 64.6329 32.6773 175.9605 138 F 5.3477 7.5197 119.1968 55.7042 43.4897 173.5995 139 I 4.9749 8.4760 123.1059 59.8020 39.4724 175.0330 140 R 5.4420 8.8813 125.1903 54.7057 34.3690 174.1388 141 L 5.0422 8.9709 120.4435 55.1620 44.1973 173.3810 142 D 5.6772 8.6641 118.3595 51.9916 42.7008 174.6793 143 C 4.9758 9.2909 119.0637 57.5460 35.8689 172.9709 144 I 3.4554 8.5997 125.8815 61.2826 37.8591 176.5891 145 E 3.1066 8.5005 127.5605 58.4185 29.5275 178.0695 146 S 4.2745 7.6383 112.3019 59.1875 64.0126 174.2222 147 N 4.5392 7.4783 119.7808 52.2255 37.3021 174.4188 148 E 3.9844 8.5670 125.5072 58.9899 29.6253 178.0482 149 T 3.9651 7.7604 108.4241 64.2048 69.3801 176.2292 150 L 3.7427 8.0304 122.3308 57.8157 42.5399 178.2376 151 N 4.5978 8.2057 116.3553 56.4861 38.4905 178.5000 152 Q 4.1895 7.8934 116.8476 56.6410 28.7598 178.1341 *154 Y 4.5946 7.8602 119.7211 58.1443 40.0959 177.8443 155 V 4.1658 7.6496 118.2611 65.4495 31.9205 177.8607 156 R 3.9890 8.3647 119.4973 59.7765 29.8457 176.8295 157 Y 4.5217 7.9885 112.0945 59.0164 38.0374 176.1857 158 G 4.0893 8.3489 108.8527 44.8378 0.0000 173.8686 159 F 4.5909 8.7429 119.0522 57.3934 40.6220 174.3424 160 Q 4.9127 9.5878 121.9709 53.8838 31.0115 175.0107 161 F 4.0480 9.2082 126.3986 58.8711 39.6782 174.6227 162 S 4.3124 8.9277 119.8610 57.3173 65.0058 173.8862 163 G 3.8948 5.3800 107.5286 43.0825 0.0000 172.0327 164 K 5.1109 7.4227 118.2005 55.2487 35.6409 175.5974 165 K 4.3428 9.2540 119.8539 56.9763 35.3823 174.8263 166 N 4.4735 10.1398 121.0282 54.4444 36.3810 175.2794 167 G 4.0883 8.6977 104.3162 45.3130 0.0000 173.3038 168 F 5.3016 8.4167 118.1359 55.7767 42.4586 174.0057 169 Y 5.5407 9.3679 119.3391 56.7674 40.3776 174.6154 170 L 4.7504 8.2551 123.6664 53.1947 44.1504 175.1111 171 Y 5.4562 9.1961 120.9488 56.2864 41.6290 174.6611 172 Q 5.4781 9.5094 120.3648 54.5095 33.0244 173.5603 173 K 4.6805 9.1419 122.2041 54.5787 34.8499 174.3179 174 E 4.6549 8.8701 128.6354 55.5050 30.4689 175.2728 175 L 4.5417 8.7155 129.7607 53.7950 43.7071 177.6798 176 S 4.2266 8.2048 116.9705 58.1421 62.1220 174.5551 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 Q 8.33 4.47 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.42 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 N 8.02 5.14 0.00 2.96 3.03 0.00 0.00 5.94 6.32 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 5 K 8.22 5.26 0.00 1.92 1.75 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 0.97 7.81 6 I 9.00 4.87 2.06 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 1.50 1.61 1.18 0.00 0.00 7 T 8.56 5.43 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 1.34 0.00 0.00 8 A 9.42 4.58 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 9 G 9.68 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 0.00 0.00 0.00 10 G 8.51 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 0.00 0.00 0.00 11 L 8.22 4.62 0.00 1.88 1.15 1.10 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.20 5.03 0.00 1.74 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 2.16 1.89 0.00 13 F 9.31 4.92 0.00 3.04 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 14 L 9.00 4.84 0.00 1.50 1.51 0.88 0.57 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 15 V 8.38 4.26 1.48 0.00 0.00 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 0.56 0.00 0.00 16 R 7.95 4.60 0.00 1.82 1.83 0.00 2.77 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.50 0.00 17 F 8.73 4.51 0.00 2.98 3.04 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 0.00 18 A 8.70 4.36 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 19 A 9.19 4.79 1.28 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 20 P 0.00 4.23 0.00 2.19 2.15 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 21 T 7.76 4.20 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 22 D 8.35 4.57 0.00 2.86 2.74 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 0.00 0.00 0.00 23 R 7.77 3.88 0.00 2.00 1.95 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 24 L 7.86 3.95 0.00 1.80 1.65 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.01 3.98 0.00 2.03 2.06 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.68 1.54 7.81 26 I 7.59 3.70 2.02 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 1.43 0.69 0.96 0.00 0.00 27 N 8.16 4.44 0.00 2.76 3.02 0.00 0.00 7.33 9.13 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 28 D 8.36 4.54 0.00 2.72 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 29 L 7.84 4.30 0.00 1.87 1.81 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 *31 I 7.73 3.96 1.98 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 1.37 0.53 0.88 0.00 0.00 32 D 8.22 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 33 T 8.17 4.02 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 1.41 0.00 0.00 34 A 7.26 3.87 1.10 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 35 R 8.08 3.88 0.00 2.03 2.03 0.00 3.12 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 1.65 1.72 0.00 36 W 8.35 4.59 0.00 3.44 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 37 L 8.08 3.72 0.00 1.78 1.89 0.80 0.99 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 38 K 8.15 4.09 0.00 1.95 2.03 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.56 7.81 39 E 8.47 4.07 0.00 2.27 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 2.40 2.47 0.00 40 S 8.32 4.35 0.00 3.95 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 41 G 7.83 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 0.00 0.00 0.00 42 S 7.69 4.56 0.00 3.93 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 43 T 7.75 4.02 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 1.23 0.00 0.00 44 Q 8.99 4.76 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 45 W 8.74 4.31 0.00 3.57 3.31 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 46 S 6.97 3.37 0.00 3.94 3.31 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 47 D 8.00 4.22 0.00 2.83 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 48 I 7.64 3.79 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.51 0.96 0.00 0.00 49 L 7.67 4.03 0.00 1.71 1.53 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.07 4.15 0.00 3.04 3.09 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.18 3.99 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 0.00 0.00 0.00 52 F 8.63 4.59 0.00 3.03 3.03 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 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0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.98 0.00 0.00 62 E 8.28 4.01 0.00 2.05 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 2.35 2.52 0.00 63 L 8.00 4.37 0.00 1.61 1.69 0.98 0.79 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 64 G 7.95 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.51 4.82 0.00 2.07 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 2.34 2.22 0.00 66 V 7.93 4.67 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 1.04 0.00 0.00 0.99 0.00 0.00 67 A 8.60 4.45 0.73 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 0.00 0.00 68 L 8.37 4.93 0.00 1.41 1.45 0.88 0.86 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 69 F 9.06 4.98 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.29 3.69 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 0.00 0.00 0.00 132 I 7.40 3.66 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.84 0.00 0.00 133 E 7.79 3.96 0.00 2.27 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 2.32 2.23 0.00 *135 S 7.95 4.09 0.00 3.86 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 0.00 136 V 7.79 3.99 1.42 0.00 0.00 0.00 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 0.50 0.00 0.00 137 P 0.00 4.15 0.00 1.07 1.88 0.00 3.60 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 2.00 1.81 0.00 138 F 7.52 5.35 0.00 2.88 2.64 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 0.00 139 I 8.48 4.97 1.98 0.00 0.00 1.00 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 1.15 1.18 0.00 0.00 140 R 8.88 5.44 0.00 0.69 1.17 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.00 0.00 141 L 8.97 5.04 0.00 1.58 1.64 -0.28 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.66 5.68 0.00 2.76 2.74 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 0.00 0.00 0.00 143 C 9.29 4.98 0.00 3.18 3.20 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 0.00 144 I 8.60 3.46 1.39 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.86 0.78 0.00 0.00 145 E 8.50 3.11 0.00 1.16 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 2.27 2.04 0.00 146 S 7.64 4.27 0.00 3.97 3.99 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 0.00 147 N 7.48 4.54 0.00 2.75 2.72 0.00 0.00 6.65 7.53 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 0.00 148 E 8.57 3.98 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.95 0.00 149 T 7.76 3.97 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 1.17 0.00 0.00 150 L 8.03 3.74 0.00 1.59 1.82 0.41 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.21 4.60 0.00 3.13 3.11 0.00 0.00 7.08 6.92 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 0.00 152 Q 7.89 4.19 0.00 2.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.39 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 *154 Y 7.86 4.59 0.00 2.35 2.40 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 0.00 155 V 7.65 4.17 2.32 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 1.33 0.00 0.00 1.21 0.00 0.00 156 R 8.36 3.99 0.00 1.89 1.98 0.00 3.38 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 157 Y 7.99 4.52 0.00 3.39 3.27 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 0.00 158 G 8.35 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 0.00 159 F 8.74 4.59 0.00 3.42 3.31 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 0.00 160 Q 9.59 4.91 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 161 F 9.21 4.05 0.00 2.89 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 0.00 162 S 8.93 4.31 0.00 3.52 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 0.00 163 G 5.38 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 0.00 0.00 0.00 164 K 7.42 5.11 0.00 2.29 2.03 0.00 1.89 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.52 7.81 165 K 9.25 4.34 0.00 1.66 1.48 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.32 7.81 166 N 10.14 4.47 0.00 3.13 3.36 0.00 0.00 7.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 G 8.70 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 0.00 168 F 8.42 5.30 0.00 3.27 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 0.00 169 Y 9.37 5.54 0.00 3.07 2.79 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 0.00 170 L 8.26 4.75 0.00 0.80 0.13 0.59 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 9.20 5.46 0.00 2.75 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 9.51 5.48 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 173 K 9.14 4.68 0.00 0.79 1.29 0.00 0.89 0.00 0.00 1.21 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.12 1.25 7.81 174 E 8.87 4.65 0.00 2.39 1.81 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 2.26 1.90 0.00 175 L 8.72 4.54 0.00 1.31 1.42 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 176 S 8.20 4.23 0.00 3.63 3.63 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 * Residues marked with a * may have inaccurate shift predictions.