NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5741 8.1633 118.3404 55.3633 33.6734 173.6050 2 I 4.8201 8.1910 119.7522 59.5403 40.1808 173.4516 3 S 5.2487 9.7196 121.8678 57.0018 67.7903 172.8188 4 L 5.2007 8.6490 123.3712 53.6014 43.9428 175.5842 5 I 5.1065 8.5740 121.4372 59.5511 40.5946 174.1076 6 A 4.9661 8.9488 129.5315 50.6711 23.4023 174.4797 7 A 4.8967 8.7629 120.6012 50.4174 21.0044 175.6744 8 L 4.7867 8.6532 122.6259 53.8761 44.0717 177.5074 9 A 3.8439 8.2884 127.5649 51.1586 20.7201 176.2186 10 V 3.7005 7.8034 115.7831 64.3708 31.1490 176.7385 11 D 4.7295 8.7818 125.1613 54.2371 39.5004 174.8430 12 R 4.1171 8.2138 112.9422 56.5763 27.6981 175.7672 13 V 3.9659 7.4225 119.6936 63.1107 31.5080 176.0813 14 I 4.7791 8.8253 120.6129 60.1660 38.8634 175.3923 15 G 3.9481 7.2374 110.9715 46.8147 0.0000 170.7966 16 M 5.2123 8.3858 121.9130 53.4665 36.5038 177.7475 17 E 3.7661 8.4871 116.9473 56.8753 30.0748 175.1543 18 N 5.0144 8.5767 111.7351 54.4644 39.1117 172.3794 19 A 4.5487 9.5877 120.0073 50.6118 23.1233 175.3436 20 M 3.9441 7.7659 118.6493 52.6408 32.6411 176.2043 21 P 4.4526 0.0000 0.0000 62.4098 30.7501 175.5768 22 W 5.1288 7.6958 114.9240 56.0776 31.0524 173.6905 23 N 4.9073 8.7573 116.2863 52.2559 40.2288 173.9955 24 L 4.9609 8.1624 126.4130 50.9462 42.5097 175.3100 25 P 4.0581 0.0000 0.0000 65.7965 31.5829 177.5165 26 A 4.2279 8.1936 118.4730 54.3343 18.3005 179.2734 27 D 4.4468 8.6026 117.7523 57.6540 41.3862 178.3077 28 L 3.8196 8.0839 118.8071 57.8493 41.6233 179.2801 29 A 4.1727 8.0349 120.5912 54.7779 18.0758 179.5458 30 W 4.0510 7.8119 126.3699 60.5101 30.9793 177.5816 31 F 3.8269 9.1229 121.6257 61.1831 38.8009 176.6224 32 K 3.5710 8.9247 119.1715 59.9057 31.7756 178.7790 33 R 3.7760 7.5737 117.2205 59.1211 30.0041 177.7533 34 N 3.9707 7.5537 116.1270 54.9288 38.6058 176.7141 35 T 3.8536 7.0143 110.2416 62.7797 69.8650 174.3855 36 L 3.4308 6.9382 121.0529 54.5734 42.6894 175.9368 37 D 4.5520 9.0101 125.5287 55.0130 38.5224 173.6075 38 K 4.7827 7.5059 116.2962 53.8479 37.2296 174.2303 39 P 4.7015 0.0000 0.0000 62.9776 33.0238 175.3601 40 V 4.8110 8.6420 116.1817 59.7586 34.9873 174.4851 41 I 4.5973 8.6303 127.2336 60.5629 38.6350 175.0549 42 M 5.5599 7.9909 125.8448 52.5452 36.5587 174.2168 43 G 4.3807 8.2703 104.3003 44.2111 0.0000 173.9231 44 R 4.1637 8.8925 121.6435 60.0842 29.7921 178.6723 45 H 4.2724 7.9290 113.5306 59.0595 29.1138 177.4044 46 T 3.9684 7.9578 117.0531 66.4812 68.3582 175.8663 47 W 4.3029 8.4513 132.6534 61.4890 30.3739 178.4349 48 E 3.7201 8.0249 116.9360 60.8544 29.1747 180.7732 49 S 4.3268 8.1074 114.5115 61.3924 63.2002 176.3239 50 I 3.6067 7.2422 122.0789 63.9464 37.0189 177.3776 51 G 3.5316 7.8060 105.7937 44.1708 0.0000 173.1600 52 R 4.2632 6.3452 112.8614 54.4187 31.0098 172.3619 53 P 4.7308 0.0000 0.0000 63.3656 31.2945 175.4579 54 L 4.5504 9.3431 119.4239 52.2979 42.2877 174.9916 55 P 4.1440 0.0000 0.0000 64.0141 32.0051 176.4490 56 G 3.9715 9.0299 107.6909 46.2037 0.0000 172.9570 57 R 4.7732 7.4266 115.4176 54.1981 34.8499 175.1690 58 K 4.1788 8.1561 124.2455 55.7400 33.0347 175.5340 59 N 5.0320 8.5862 126.5930 52.4635 40.1062 174.2631 60 I 4.5360 8.2188 125.3488 59.4713 40.0178 175.1992 61 I 4.4266 7.9596 127.5512 59.4242 40.2287 174.6347 62 L 5.1526 7.8720 124.1978 53.2353 44.2914 175.6458 63 S 5.0279 9.2822 118.7444 57.0263 65.7233 175.1389 64 S 4.2471 8.8713 120.5273 60.6409 63.5095 174.6293 65 Q 4.3221 7.7079 119.1234 53.7168 29.6611 173.3354 66 P 4.2123 0.0000 0.0000 62.1931 32.0077 176.7788 67 G 2.0000 7.7526 110.4097 44.9611 0.0000 173.0950 68 T 4.3904 5.7900 110.4854 60.2087 69.2634 173.8053 69 D 4.4528 7.6656 117.5449 55.1126 44.0130 175.4241 70 D 4.4965 8.9507 126.4832 56.1436 41.3889 177.8606 71 R 4.0922 8.7522 118.7077 58.1880 30.2648 176.9638 72 V 4.3888 6.9757 109.0372 59.2557 34.9233 176.0665 73 T 4.1229 7.8978 120.0949 63.3675 69.0042 174.1850 74 W 4.9585 8.7719 126.5777 55.8979 31.0421 176.2670 75 V 4.6565 8.6003 114.1814 60.3678 35.7955 175.4567 76 K 5.2424 9.5793 121.3038 55.5761 33.5016 176.9378 77 S 4.6820 7.5701 113.2765 55.7239 66.8602 174.9032 78 V 3.6842 8.4530 123.1136 66.7121 31.2198 178.2187 79 D 4.3161 8.0579 117.8359 57.4510 40.4700 178.0820 80 E 3.9111 8.4863 118.9942 59.4011 29.2613 179.0300 81 A 4.3529 8.4497 120.4965 55.8571 18.6995 179.6115 82 I 3.8587 8.5537 117.1207 64.0356 37.5048 178.5941 83 A 4.1216 7.9763 121.7220 54.9930 18.2608 179.3153 84 A 4.0778 8.6961 118.1369 54.4628 18.4640 178.9146 85 C 4.2548 7.7430 114.4084 63.2882 29.3374 173.4067 86 G 3.9361 8.6140 105.3718 44.8052 0.0000 174.9976 87 D 4.6925 8.2732 117.6539 52.7590 39.6802 175.7231 88 V 4.5832 7.4912 114.8965 58.3980 35.7389 174.5685 89 P 4.3762 0.0000 0.0000 65.2074 31.3705 176.8370 90 E 5.3687 7.6982 116.7767 53.9631 32.6509 174.0076 91 I 4.4038 8.4683 127.3269 60.0092 39.9001 174.2295 92 M 4.8508 8.7437 126.7874 53.7562 34.2071 175.0786 93 V 4.3828 9.0382 125.4872 60.9596 33.2096 175.9942 94 I 4.6300 8.6226 123.5380 60.9423 38.3500 177.6320 95 G 2.5206 7.4571 113.5715 45.6223 0.0000 174.6670 96 G 4.2810 8.0855 114.1847 44.3408 0.0000 175.0346 97 G 3.9426 9.4306 111.8562 47.9844 0.0000 174.9243 98 R 4.1724 8.1257 120.3907 60.9959 29.7644 180.9413 99 V 3.9795 7.7908 118.4258 66.0083 31.5646 177.2910 100 Y 4.4734 8.2083 116.6996 61.4487 37.5689 178.1336 101 E 3.8857 8.5651 118.9551 59.9105 29.7039 178.7455 102 Q 4.1790 8.1018 116.3019 58.3358 29.2891 177.8118 103 F 4.3654 8.8168 118.6707 59.0603 39.0940 177.3429 104 L 4.0614 8.2159 120.9081 58.2905 41.5714 177.0866 105 P 4.3685 0.0000 0.0000 65.6797 31.3430 177.9740 106 K 4.2840 7.9941 114.7531 56.6362 32.6328 177.3365 107 A 4.6022 7.8136 122.5459 52.4779 19.0826 177.0336 108 Q 4.8244 8.8972 116.5862 55.5324 31.9826 175.3069 109 K 5.3339 8.2311 119.2806 55.1145 35.8904 174.3227 110 L 5.0537 8.7085 125.6286 53.1095 45.7670 175.4215 111 Y 4.8966 8.7196 119.0303 56.4318 40.4210 174.3564 112 L 5.6996 8.8762 124.0455 52.2898 45.6373 176.2504 113 T 4.7183 8.3564 118.5636 62.6923 70.2181 173.7076 114 H 5.0361 9.8476 126.8500 54.2318 29.4895 174.9045 115 I 3.9299 8.3774 125.3525 61.0482 37.7652 176.7891 116 D 4.7094 8.8157 127.3717 52.2265 39.6224 174.4277 117 A 4.4056 7.6482 121.5448 50.6616 22.9868 175.5678 118 E 4.8852 8.8796 122.2821 54.4812 28.7642 175.4157 119 V 4.5205 7.7099 114.7261 58.9918 34.7834 175.2450 120 E 4.3664 8.6385 123.4645 55.7102 30.3828 175.7317 121 G 4.2814 8.3429 112.8975 44.5723 0.0000 171.6814 122 D 4.9846 8.8695 117.9187 53.3286 40.8849 176.5666 123 T 4.8303 7.8266 116.4113 62.1696 72.0134 172.5716 124 H 5.4785 8.9788 121.8449 53.8334 32.5061 172.9820 125 F 4.6190 9.2918 123.9705 56.4783 40.1378 173.6297 126 P 4.1526 0.0000 0.0000 63.2003 31.3777 176.6683 127 D 4.6615 8.3821 120.4548 53.3770 38.8823 174.7751 128 Y 4.5043 8.4607 124.3238 57.3221 38.9465 177.3693 *129 E 4.5180 8.8233 114.0621 54.3982 32.1348 172.9055 130 P 4.3334 0.0000 0.0000 65.5366 31.7088 179.3439 *131 D 4.5071 8.1494 115.1796 55.8300 39.8569 179.1745 132 D 4.4572 8.8808 117.6975 56.3085 41.2175 176.1179 133 W 5.2434 7.8577 117.4299 54.8318 31.9944 175.8248 134 E 4.6266 9.2336 123.8397 54.1820 31.5126 174.9826 135 S 4.6215 8.9717 122.9396 58.5796 62.8927 173.8180 136 V 4.5887 9.7217 120.5360 60.2542 32.8694 175.4402 137 F 4.7684 7.9597 121.2531 58.3800 42.1734 172.6022 138 S 5.2565 7.4015 118.9686 58.1619 67.1422 173.6139 139 E 4.3854 8.2371 123.1238 55.2153 32.7396 173.4410 140 F 4.7424 8.4438 129.0535 57.1795 41.9422 174.3790 141 H 4.0183 5.7851 118.2298 54.5116 33.3271 172.9244 142 D 4.3767 8.0545 122.0786 52.5525 42.2185 175.4988 143 A 4.3458 8.3398 126.8403 52.2833 18.8651 175.9971 144 D 4.4365 8.2926 116.3593 53.2246 42.4278 174.9480 145 A 4.1574 8.9921 121.3272 56.1497 18.4266 179.3969 146 Q 4.0999 8.3494 112.7501 58.5487 29.0649 176.5448 147 N 4.8272 8.4444 118.5628 50.6567 38.0820 175.0672 148 S 4.0416 8.4533 117.5136 60.6777 62.6654 173.9260 149 H 4.9692 7.7129 115.4312 54.2827 32.7990 172.5979 150 S 4.3540 8.2822 116.7175 58.1879 65.4657 171.9620 151 Y 4.8624 7.1172 115.7813 56.6249 41.1188 172.5666 152 C 4.9503 8.6696 121.2090 57.5113 34.6139 173.2431 153 F 4.6470 8.4352 125.4896 57.6675 39.9569 174.2290 154 E 5.3710 9.8633 122.2181 55.3551 33.8524 173.8468 155 I 5.0753 9.2038 123.5070 59.7383 41.5957 174.2916 156 L 5.2454 8.4295 126.3316 52.9077 45.3390 175.2208 157 E 5.3682 9.4233 122.6311 54.2349 32.3048 175.0266 158 R 2.6732 8.8712 125.7335 56.2988 30.5734 176.2578 159 R 4.1197 9.8313 126.0715 56.6022 29.6956 176.0683 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 1 M 8.16 4.57 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 2 I 8.19 4.82 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 1.10 0.00 0.00 3 S 9.72 5.25 0.00 3.86 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 4 L 8.65 5.20 0.00 1.77 1.71 1.15 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.57 5.11 1.77 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.95 0.00 0.00 6 A 8.95 4.97 0.92 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 7 A 8.76 4.90 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 8 L 8.65 4.79 0.00 1.50 1.55 0.41 0.52 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 9 A 8.29 3.84 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 10 V 7.80 3.70 2.25 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 0.77 0.00 0.00 0.91 0.00 0.00 11 D 8.78 4.73 0.00 2.90 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 0.00 0.00 0.00 0.00 12 R 8.21 4.12 0.00 2.23 2.24 0.00 3.57 0.00 0.00 3.53 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 13 V 7.42 3.97 2.29 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 1.20 0.00 0.00 1.06 0.00 0.00 14 I 8.83 4.78 2.16 0.00 0.00 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 1.35 0.99 1.30 0.00 0.00 15 G 7.24 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 16 M 8.39 5.21 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 17 E 8.49 3.77 0.00 2.10 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 2.16 1.85 0.00 18 N 8.58 5.01 0.00 2.60 2.71 0.00 0.00 6.52 7.96 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 19 A 9.59 4.55 1.09 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 20 M 7.77 3.94 0.00 0.51 1.30 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 21 P 0.00 4.45 0.00 2.30 2.14 0.00 2.78 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 22 W 7.70 5.13 0.00 3.29 3.23 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 23 N 8.76 4.91 0.00 2.68 2.76 0.00 0.00 6.74 7.78 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 24 L 8.16 4.96 0.00 1.69 1.30 0.55 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.06 0.00 2.10 2.17 0.00 4.08 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 26 A 8.19 4.23 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 27 D 8.60 4.45 0.00 2.49 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 28 L 8.08 3.82 0.00 1.95 1.74 0.88 0.72 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 29 A 8.03 4.17 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 30 W 7.81 4.05 0.00 2.95 3.15 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 31 F 9.12 3.83 0.00 3.21 3.22 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 32 K 8.92 3.57 0.00 1.93 2.13 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 33 R 7.57 3.78 0.00 1.76 2.11 0.00 3.30 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 34 N 7.55 3.97 0.00 1.83 1.62 0.00 0.00 6.96 7.08 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 35 T 7.01 3.85 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 0.36 0.00 0.00 36 L 6.94 3.43 0.00 1.74 1.45 0.86 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 37 D 9.01 4.55 0.00 2.73 2.68 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 38 K 7.51 4.78 0.00 1.50 1.65 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.44 7.81 39 P 0.00 4.70 0.00 2.13 2.12 0.00 3.45 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 2.07 0.00 40 V 8.64 4.81 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 0.78 0.00 0.00 0.93 0.00 0.00 41 I 8.63 4.60 1.44 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.40 0.70 0.00 0.00 42 M 7.99 5.56 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 43 G 8.27 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 0.00 0.00 0.00 0.00 44 R 8.89 4.16 0.00 2.16 2.00 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 1.77 1.89 0.00 45 H 7.93 4.27 0.00 3.16 3.56 0.00 5.96 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 46 T 7.96 3.97 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 1.17 0.00 0.00 47 W 8.45 4.30 0.00 3.35 3.32 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 48 E 8.02 3.72 0.00 2.13 1.86 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 2.26 2.19 0.00 49 S 8.11 4.33 0.00 3.82 4.07 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 50 I 7.24 3.61 1.58 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.48 0.82 0.00 0.00 51 G 7.81 3.53 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 0.00 0.00 0.00 52 R 6.35 4.26 0.00 2.11 1.76 0.00 3.18 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.01 0.00 53 P 0.00 4.73 0.00 2.27 2.26 0.00 3.84 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 54 L 9.34 4.55 0.00 1.71 1.68 1.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.14 0.00 2.03 2.00 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 56 G 9.03 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 57 R 7.43 4.77 0.00 1.64 1.86 0.00 3.10 0.00 0.00 2.96 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.49 0.00 58 K 8.16 4.18 0.00 1.96 1.66 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.36 7.81 59 N 8.59 5.03 0.00 2.60 2.66 0.00 0.00 6.88 7.32 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 60 I 8.22 4.54 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.21 0.83 0.00 0.00 61 I 7.96 4.43 0.56 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.60 0.00 0.00 62 L 7.87 5.15 0.00 1.57 1.61 1.00 0.80 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 63 S 9.28 5.03 0.00 4.15 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 64 S 8.87 4.25 0.00 4.03 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 65 Q 7.71 4.32 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 66 P 0.00 4.21 0.00 1.97 1.91 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 67 G 7.75 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 5.79 4.39 4.18 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 0.00 0.00 1.01 0.00 0.00 69 D 7.67 4.45 0.00 2.95 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 70 D 8.95 4.50 0.00 2.75 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 71 R 8.75 4.09 0.00 2.09 2.05 0.00 3.17 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 72 V 6.98 4.39 1.68 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 0.52 0.00 0.00 -0.23 0.00 0.00 73 T 7.90 4.12 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 1.17 0.00 0.00 74 W 8.77 4.96 0.00 3.04 3.05 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 75 V 8.60 4.66 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 0.71 0.00 0.00 1.10 0.00 0.00 76 K 9.58 5.24 0.00 1.80 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 77 S 7.57 4.68 0.00 4.00 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 78 V 8.45 3.68 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 0.58 0.00 0.00 0.86 0.00 0.00 79 D 8.06 4.32 0.00 2.73 2.71 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 80 E 8.49 3.91 0.00 2.26 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 2.35 2.35 0.00 81 A 8.45 4.35 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 0.00 0.00 82 I 8.55 3.86 2.04 0.00 0.00 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 1.70 0.72 0.98 0.00 0.00 83 A 7.98 4.12 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 84 A 8.70 4.08 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 85 C 7.74 4.25 0.00 2.97 2.97 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 86 G 8.61 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 87 D 8.27 4.69 0.00 2.65 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 88 V 7.49 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 0.73 0.00 0.00 0.91 0.00 0.00 89 P 0.00 4.38 0.00 2.02 2.10 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 90 E 7.70 5.37 0.00 1.92 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 2.14 2.20 0.00 91 I 8.47 4.40 1.88 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 1.34 0.63 0.86 0.00 0.00 92 M 8.74 4.85 0.00 1.71 1.80 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 93 V 9.04 4.38 1.64 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 0.54 0.00 0.00 0.52 0.00 0.00 94 I 8.62 4.63 2.06 0.00 0.00 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 1.22 0.77 1.04 0.00 0.00 95 G 7.46 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.09 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 0.00 0.00 0.00 0.00 97 G 9.43 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 98 R 8.13 4.17 0.00 1.82 1.99 0.00 3.26 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.30 0.00 99 V 7.79 3.98 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 1.06 0.00 0.00 1.00 0.00 0.00 100 Y 8.21 4.47 0.00 3.38 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 0.00 101 E 8.57 3.89 0.00 2.20 2.29 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 2.37 2.42 0.00 102 Q 8.10 4.18 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.70 0.00 103 F 8.82 4.37 0.00 3.22 3.22 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 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1.33 1.16 0.47 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.36 4.72 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 1.06 0.00 0.00 114 H 9.85 5.04 0.00 3.00 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.38 3.93 1.35 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 -0.36 0.43 0.00 0.00 116 D 8.82 4.71 0.00 2.88 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.41 0.90 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 0.00 118 E 8.88 4.89 0.00 1.97 1.94 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 2.24 2.31 0.00 119 V 7.71 4.52 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 0.81 0.00 0.00 1.12 0.00 0.00 120 E 8.64 4.37 0.00 1.97 1.87 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *129 E 8.82 4.52 0.00 1.85 1.83 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 2.20 1.87 0.00 130 P 0.00 4.33 0.00 2.16 2.13 0.00 3.82 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 2.13 1.99 0.00 *131 D 8.15 4.51 0.00 2.69 2.60 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 0.00 132 D 8.88 4.46 0.00 2.70 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 0.00 0.00 0.00 0.00 133 W 7.86 5.24 0.00 3.30 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 0.00 134 E 9.23 4.63 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 2.27 2.28 0.00 135 S 8.97 4.62 0.00 4.08 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 0.00 136 V 9.72 4.59 2.16 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 0.83 0.00 0.00 1.04 0.00 0.00 137 F 7.96 4.77 0.00 3.21 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 0.00 138 S 7.40 5.26 0.00 3.58 3.51 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 0.00 139 E 8.24 4.39 0.00 1.77 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 2.22 2.31 0.00 140 F 8.44 4.74 0.00 2.89 2.73 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 0.00 141 H 5.79 4.02 0.00 1.40 2.24 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.05 4.38 0.00 2.57 2.48 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 0.00 0.00 0.00 0.00 143 A 8.34 4.35 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 0.00 144 D 8.29 4.44 0.00 2.71 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 0.00 145 A 8.99 4.16 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 0.00 146 Q 8.35 4.10 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.06 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 147 N 8.44 4.83 0.00 2.82 2.87 0.00 0.00 6.66 7.62 0.00 0.00 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 S 8.45 4.04 0.00 3.77 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 0.00 149 H 7.71 4.97 0.00 3.20 3.17 0.00 5.86 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.28 4.35 0.00 3.47 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 0.00 151 Y 7.12 4.86 0.00 2.62 2.68 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 0.00 152 C 8.67 4.95 0.00 2.95 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 0.00 153 F 8.44 4.65 0.00 2.76 1.98 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 0.00 154 E 9.86 5.37 0.00 2.07 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 2.29 2.56 0.00 155 I 9.20 5.08 1.99 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.12 0.66 0.00 0.00 156 L 8.43 5.25 0.00 1.20 1.61 0.91 0.88 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 0.00 157 E 9.42 5.37 0.00 1.94 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 2.29 2.27 0.00 158 R 8.87 2.67 0.00 0.67 1.53 0.00 2.91 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.20 0.00 159 R 9.83 4.12 0.00 1.89 1.74 0.00 3.34 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.