NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6350 8.3349 115.2929 58.3922 63.4013 173.3215 3 L 4.2205 9.2816 126.1323 54.3198 41.7541 174.9717 4 I 4.5578 8.6769 121.8556 59.6598 40.2732 174.9254 5 E 4.6041 8.7102 127.0275 54.4922 32.6215 175.1490 6 I 4.5579 8.3711 126.1967 60.6596 37.7305 176.1291 7 R 4.1269 9.1266 128.8352 58.3596 30.5212 176.0137 8 K 4.7204 7.3884 114.4620 56.0470 35.9437 174.4175 9 R 5.2954 8.3988 118.6372 54.8067 34.4295 174.7712 10 T 4.7412 8.9129 111.0920 59.8252 72.4762 172.2940 11 L 5.3274 8.6231 125.5081 53.2474 44.5461 175.2941 12 I 4.6732 9.0709 119.7740 59.0112 40.9199 174.5579 13 V 4.6633 8.4131 124.0637 61.2423 34.0137 173.8438 14 E 4.5950 9.3080 130.2284 54.8100 31.5836 174.4185 15 T 4.8183 8.4736 123.6810 62.1234 70.7686 173.7339 16 T 4.3094 8.7061 124.0951 62.1899 70.1017 174.9609 17 Y 4.3463 8.5617 124.7142 60.4895 39.0994 174.9858 18 H 4.5261 7.5700 111.4808 55.4448 31.1253 172.7786 19 E 4.6517 8.3925 117.7521 55.5769 29.2548 175.0605 20 N 4.3671 8.9961 111.8431 53.7791 36.4317 174.4883 21 G 3.9758 7.6504 107.5988 42.3279 0.0000 171.0295 22 P 4.2161 0.0000 0.0000 62.4092 31.3958 176.1699 23 A 4.2361 8.4990 126.9185 51.2015 18.9964 175.1982 24 P 4.5430 0.0000 0.0000 61.8582 32.5210 176.2715 25 A 4.1773 8.7247 122.4588 54.5774 18.3698 178.2005 26 Q 4.6825 7.6514 111.4025 53.3263 31.4042 173.3400 27 P 4.5275 0.0000 0.0000 62.5591 32.7403 175.2421 28 L 4.3078 8.3566 123.1617 54.5678 43.6627 175.4558 29 K 5.0915 8.7681 124.8219 54.5464 35.3214 174.9912 30 L 5.1952 8.8793 124.0820 52.8530 45.3004 175.4686 31 A 5.3080 8.5741 123.1390 50.2795 23.1309 174.4658 32 A 5.1510 9.1634 122.0496 50.1098 22.8923 174.9664 33 S 5.1689 9.1677 116.5517 56.7188 65.1094 172.6392 34 C 5.5186 9.4339 124.4543 57.9174 32.0290 172.9149 35 A 5.0326 8.9740 123.1341 50.2131 22.4505 175.0207 36 V 4.6673 8.8570 122.9172 61.2364 33.2725 174.7439 37 I 5.5683 8.6457 121.3124 57.6391 41.1398 174.9167 38 R 4.1731 8.5521 123.6941 56.5504 30.9447 175.5111 39 N 4.6502 9.0432 125.4124 51.8189 39.2722 173.9021 40 P 4.0326 0.0000 0.0000 64.1490 31.5909 176.8253 41 Y 4.4949 7.7123 115.1309 57.0208 38.7566 175.3738 42 A 4.1591 7.3047 124.2108 53.8871 18.7003 178.4364 43 G 4.0311 10.5124 111.5847 45.2565 0.0000 173.1933 44 R 4.6181 7.4990 114.0241 54.8315 32.4769 173.9176 45 Y 4.2791 8.5302 120.4436 56.4434 39.0397 174.2641 46 E 4.3892 7.9138 128.8711 53.4069 30.8190 173.8032 47 P 3.9807 0.0000 0.0000 64.6419 31.6721 175.5817 48 D 4.5935 8.1601 118.7068 52.5981 40.5045 175.6904 49 L 4.1671 7.6608 129.4133 52.3962 40.7848 175.3317 *51 P 4.2016 0.0000 0.0000 62.4942 33.8734 179.6819 52 F 4.6420 7.7834 116.3546 59.0003 38.8058 176.4135 *54 A 4.1813 8.1471 123.2585 51.6857 20.3845 179.5813 55 E 3.9814 8.2468 116.0487 59.2272 29.6330 178.7849 56 L 4.0207 7.9141 118.6992 56.9096 41.4661 179.0903 57 R 3.9105 7.6444 119.6788 59.4221 29.9082 178.5120 58 S 4.1168 8.0268 113.9053 61.1859 62.9529 176.3481 59 L 4.1112 7.8575 123.6984 57.7874 41.8896 178.7403 60 G 3.5929 8.2087 105.7663 48.3166 0.0000 175.6899 61 T 3.8511 8.0293 118.5020 65.9689 68.4886 176.4161 62 L 3.9559 7.9825 122.1912 58.3832 42.1605 179.1879 63 L 4.0688 8.1310 118.5809 57.6699 41.5888 179.3860 64 A 4.0382 8.3619 121.0489 55.4745 18.2532 179.7884 65 T 3.8475 8.1935 114.4864 66.7388 68.4897 176.4473 66 E 3.9407 8.2054 121.1312 59.2440 29.5627 178.9479 67 L 4.0091 7.9579 119.0796 57.7564 41.6464 179.6476 68 V 3.5998 7.8878 118.2190 66.1803 31.2764 177.8697 69 D 4.4271 8.1873 117.6681 57.3678 40.6207 178.7373 70 T 4.1002 7.6144 115.7212 66.3718 68.7767 176.4692 71 L 4.3716 8.1793 118.9356 53.7882 42.5543 177.2156 72 G 3.8985 8.4345 111.3629 46.2506 0.0000 175.2365 73 K 3.8734 8.7600 127.9329 58.2851 31.7703 175.1036 74 D 4.7041 8.0311 114.1053 54.2979 40.2196 179.5986 75 N 4.9231 8.2608 115.3058 53.8532 39.1845 173.9586 76 I 4.6083 7.6142 120.2749 60.6750 37.5329 175.1581 77 E 4.7563 9.4897 123.7584 55.9658 32.4636 176.1041 78 V 5.1781 7.9603 110.4887 58.8915 35.9674 173.9072 79 Y 5.1189 8.1299 119.2586 56.8917 41.7783 172.5740 80 S 4.7843 8.8070 113.6133 58.0625 66.9007 173.5549 81 K 5.2982 8.5596 119.0237 55.9094 36.0250 174.9597 82 A 5.5956 9.7450 121.7810 51.9551 23.4012 175.0515 83 A 4.9169 8.4782 119.7007 50.3999 23.3090 175.3115 84 I 4.8359 8.6867 122.1756 59.5706 40.6441 174.7019 85 V 4.3213 8.6983 128.1537 60.9353 33.5438 175.7565 86 G 4.0582 8.7189 114.5802 45.9980 0.0000 175.0645 87 V 3.7175 8.3757 113.2716 63.7801 31.8036 177.1988 88 D 4.6395 8.3023 118.8918 54.5116 41.2572 176.3246 89 G 4.6758 7.8804 110.2705 44.3083 0.0000 172.2269 90 E 4.5374 7.7143 120.7304 55.9894 29.6100 178.2305 *92 E 4.2914 8.9841 118.6678 56.2805 31.0002 176.7639 93 H 4.7761 8.2198 115.2122 58.1586 28.9302 177.1528 94 G 3.9663 8.1581 106.7736 46.7700 0.0000 175.6042 95 A 4.2595 7.7743 121.4249 54.6923 18.3311 179.8542 96 V 3.6237 8.0473 110.7572 64.0556 31.4953 177.9146 97 W 4.2123 8.5217 127.8119 59.7244 30.3271 177.6106 98 H 3.9791 7.9123 116.3928 58.9846 28.1402 177.1237 99 E 2.8597 7.6698 119.8516 58.7162 29.6262 178.2926 100 A 3.6751 7.3964 120.8734 54.8213 18.1560 179.8512 101 G 2.0000 6.6639 103.2836 46.8032 0.0000 176.1196 102 G 3.5793 6.8451 107.2068 47.3316 0.0000 175.6074 103 W 4.4104 8.2340 122.0686 59.0416 29.0242 178.8667 104 A 4.2062 7.2213 116.9343 53.3903 17.6122 179.0516 *106 R 4.3951 8.0073 119.7064 57.6717 32.4019 178.3682 107 S 4.3870 8.2614 113.4545 60.9758 63.0404 176.7444 108 V 3.5964 7.7981 119.1727 65.6861 31.2680 176.4520 109 L 4.3625 7.9441 116.8484 54.4310 41.5248 176.6857 110 G 3.7097 7.9514 106.0420 46.1959 0.0000 173.9363 111 E 3.7177 8.6244 115.7311 56.0089 27.0004 172.9119 112 P 4.3318 0.0000 0.0000 63.2274 31.9462 176.7157 113 K 4.2741 8.4742 117.8800 57.7849 33.2547 177.8688 114 A 4.9427 7.9123 127.3698 51.4687 20.1624 179.2914 *116 V 3.7082 8.3665 117.9580 63.7190 32.4567 173.3857 117 P 4.7363 0.0000 0.0000 63.1675 32.9178 174.5719 118 A 5.7897 8.4848 120.0922 51.9222 22.3911 175.8580 119 V 4.7549 8.2479 117.6015 60.4936 34.9692 173.6560 120 K 5.2699 8.5340 119.9082 56.3113 35.7701 174.4781 121 A 4.6067 8.8051 121.0434 51.0404 23.1971 175.1850 122 V 4.6477 8.0915 119.2701 61.3242 32.9434 174.7830 123 A 4.4957 8.7131 128.9594 50.8856 22.9295 175.6379 124 T 4.0565 8.2599 108.7498 60.7142 69.8388 174.1519 125 A 4.3029 7.7145 124.9928 53.4548 18.6748 178.3657 126 G 3.9630 8.8949 111.1514 44.9832 0.0000 173.4148 127 Y 4.1484 7.5489 120.7789 58.0604 39.1861 175.6866 128 R 4.8283 7.3879 124.2863 53.5049 32.8828 175.6307 *131 V 4.0022 7.9818 119.0162 62.3323 32.7343 172.5547 132 P 5.2373 0.0000 0.0000 62.3476 32.8602 175.6310 133 V 5.0241 9.2131 114.9621 59.1989 35.9328 174.0195 134 H 5.4197 8.4515 116.7099 54.0858 32.8572 171.5614 135 Y 4.8689 8.5373 120.0050 57.7761 39.2311 176.9732 136 I 3.2227 8.1296 119.6906 62.8578 37.8887 177.0213 137 H 4.3784 6.0304 115.6519 55.6335 30.1381 174.4048 138 A 4.3137 7.2631 117.1515 51.3207 21.0494 176.9977 139 S 4.0097 8.7688 119.2928 62.2088 63.0425 175.9510 140 Y 4.3757 8.0652 116.4023 58.2903 37.9876 175.4696 141 V 3.7139 7.6192 121.3140 62.7370 31.5910 176.5385 142 R 3.8715 8.5273 129.4802 59.1280 30.3277 178.7999 143 S 4.1932 7.9971 112.0772 60.8037 63.0924 175.1608 144 H 4.4373 7.4076 116.3007 56.1731 29.2825 175.4635 145 F 4.7085 6.8468 118.1364 58.5612 39.4317 174.2673 146 N 4.8343 8.9394 120.1350 53.7413 42.9912 172.6309 147 S 5.2412 8.4032 114.1651 57.3317 67.0551 173.9135 148 I 4.6594 8.3391 122.1075 59.2792 41.0350 174.2424 149 E 4.3021 8.8453 129.5374 55.2271 30.5337 175.2599 150 I 4.5948 9.2663 117.9025 58.1085 40.7731 174.0381 151 G 4.4286 7.3555 112.1008 44.7811 0.0000 172.0539 152 I 4.5682 7.4022 121.1683 58.8652 40.5642 176.4029 153 Q 3.9722 9.0515 126.3513 58.7589 28.8612 177.1418 154 D 4.9439 7.9221 114.5009 52.3833 40.0139 175.2911 155 A 4.7421 7.8042 121.1416 50.7512 22.6513 174.6695 156 P 4.5986 0.0000 0.0000 62.1978 32.5593 176.7645 157 R 4.2693 8.9411 120.9497 54.8847 31.1417 175.7039 158 P 4.3319 0.0000 0.0000 65.5438 31.4825 178.2899 159 R 4.6851 7.8497 115.4923 55.8969 30.7012 174.7870 160 E 5.2766 8.0757 116.7695 54.6297 34.1997 174.8774 161 I 4.7101 8.5980 120.4303 59.5386 41.7546 174.3468 162 L 4.8383 8.7446 128.6327 53.4041 43.8657 174.8843 163 F 4.9307 8.7543 125.2322 55.5505 41.6809 174.6275 164 A 5.3245 8.7105 123.0672 50.5065 22.9823 174.9597 165 L 5.3695 9.1132 119.2916 53.0973 46.1553 175.7656 166 V 5.6105 8.1756 120.5970 60.0450 36.0087 174.1345 *168 G 4.1222 8.3854 108.8534 46.5435 0.0000 173.3429 169 T 5.3010 7.8122 108.9373 60.9660 69.7289 175.4212 170 G 3.8493 7.2175 108.3048 45.4841 0.0000 172.6487 171 A 4.0639 8.3012 123.8627 50.8493 19.8762 177.7274 172 R 4.0241 8.3535 118.6529 56.6178 30.5991 179.1416 173 V 3.6954 8.3071 114.0467 64.1063 31.7015 176.4698 174 H 4.9940 7.7512 115.8911 54.7135 29.7386 173.4502 175 A 4.1157 7.6951 122.4811 53.0933 18.4489 179.9273 176 R 4.5939 8.2739 120.5261 55.5073 29.2545 175.3863 177 L 4.6419 8.1932 115.7531 55.0351 43.2013 178.6915 178 G 3.5604 8.5364 107.1123 48.1172 0.0000 174.5324 179 G 3.8253 8.7139 113.0783 44.1623 0.0000 171.7539 180 L 4.0052 8.3438 120.3114 55.2650 42.7758 176.9814 181 T 4.8005 8.0439 114.8951 59.2870 71.5253 175.2995 182 K 3.7651 8.3367 121.0910 59.7088 32.1199 179.5758 183 E 3.9240 7.5469 117.1292 58.7408 29.4263 177.7344 184 A 4.2486 7.5527 119.8379 52.5464 19.2421 177.6505 185 V 3.8052 7.3082 117.2122 63.1274 31.6924 175.7747 186 S 4.6199 8.7204 119.5644 57.8564 64.7590 175.4424 187 V 3.7395 7.8181 120.0531 64.1815 31.6455 175.6033 188 H 4.0649 7.8555 114.3979 57.0153 25.7815 174.7322 189 D 4.6189 8.2171 116.9910 53.1152 40.3365 176.9967 190 G 4.1321 8.2787 108.0775 46.5535 0.0000 174.4843 191 Q 4.6364 8.9863 116.9892 56.3050 30.7677 176.0700 192 R 4.2427 7.9213 120.6083 56.4810 31.2958 174.9612 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 S 8.33 4.64 0.00 3.87 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 3 L 9.28 4.22 0.00 2.02 1.85 1.14 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.68 4.56 1.93 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 1.35 0.72 0.97 0.00 0.00 5 E 8.71 4.60 0.00 1.87 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 2.28 2.30 0.00 6 I 8.37 4.56 1.89 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 1.26 0.53 0.97 0.00 0.00 7 R 9.13 4.13 0.00 1.72 1.92 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 8 K 7.39 4.72 0.00 1.82 1.84 0.00 1.49 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.46 7.81 9 R 8.40 5.30 0.00 1.66 1.85 0.00 3.17 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 10 T 8.91 4.74 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 11 L 8.62 5.33 0.00 1.63 1.57 1.01 1.03 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 12 I 9.07 4.67 1.87 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 1.12 1.05 0.91 0.00 0.00 13 V 8.41 4.66 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 0.79 0.00 0.00 0.94 0.00 0.00 14 E 9.31 4.59 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 15 T 8.47 4.82 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 16 T 8.71 4.31 4.13 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 1.17 0.00 0.00 17 Y 8.56 4.35 0.00 2.92 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 18 H 7.57 4.53 0.00 3.28 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.39 4.65 0.00 1.90 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 2.23 2.33 0.00 20 N 9.00 4.37 0.00 2.98 2.98 0.00 0.00 6.98 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 21 G 7.65 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 0.00 0.00 0.00 22 P 0.00 4.22 0.00 2.18 2.09 0.00 3.35 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 1.97 2.06 0.00 23 A 8.50 4.24 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 24 P 0.00 4.54 0.00 2.31 2.07 0.00 4.09 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 2.10 1.94 0.00 25 A 8.72 4.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.65 4.68 0.00 2.38 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.99 0.00 0.00 0.00 0.00 0.00 2.20 1.87 0.00 27 P 0.00 4.53 0.00 1.70 1.75 0.00 3.78 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 1.89 1.96 0.00 28 L 8.36 4.31 0.00 1.74 1.47 0.92 0.62 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 29 K 8.77 5.09 0.00 1.70 1.62 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.31 7.81 30 L 8.88 5.20 0.00 1.54 1.53 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.57 5.31 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 32 A 9.16 5.15 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 33 S 9.17 5.17 0.00 3.92 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 9.43 5.52 0.00 2.82 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 35 A 8.97 5.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.86 4.67 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 1.00 0.00 0.00 0.88 0.00 0.00 37 I 8.65 5.57 2.03 0.00 0.00 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 1.20 2.12 0.99 0.00 0.00 38 R 8.55 4.17 0.00 1.82 1.84 0.00 3.15 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 39 N 9.04 4.65 0.00 2.71 2.72 0.00 0.00 7.13 7.70 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 40 P 0.00 4.03 0.00 0.55 1.52 0.00 2.83 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.77 0.00 41 Y 7.71 4.49 0.00 2.62 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 42 A 7.30 4.16 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 10.51 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 44 R 7.50 4.62 0.00 1.90 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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 55 E 8.25 3.98 0.00 2.11 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 2.37 0.00 56 L 7.91 4.02 0.00 1.44 1.54 -0.20 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.64 3.91 0.00 1.82 1.88 0.00 3.15 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 58 S 8.03 4.12 0.00 4.13 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.86 4.11 0.00 1.83 2.04 0.98 0.92 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 60 G 8.21 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.03 3.85 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 1.21 0.00 0.00 62 L 7.98 3.96 0.00 1.91 1.92 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.13 4.07 0.00 1.91 1.82 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.36 4.04 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 65 T 8.19 3.85 4.42 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 0.00 0.00 0.00 1.22 0.00 0.00 66 E 8.21 3.94 0.00 2.18 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 0.00 2.33 2.37 0.00 67 L 7.96 4.01 0.00 1.97 1.74 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.89 3.60 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 1.13 0.00 0.00 0.95 0.00 0.00 69 D 8.19 4.43 0.00 2.84 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 70 T 7.61 4.10 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 1.22 0.00 0.00 71 L 8.18 4.37 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.81 4.78 0.00 4.04 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.56 5.30 0.00 1.94 1.74 0.00 1.27 0.00 0.00 1.43 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.42 7.81 82 A 9.74 5.60 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.48 4.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.69 4.84 1.82 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.94 0.00 0.00 85 V 8.70 4.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.89 0.00 0.00 86 G 8.72 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 87 V 8.38 3.72 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 0.71 0.00 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0.00 0.00 124 T 8.26 4.06 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 1.18 0.00 0.00 125 A 7.71 4.30 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 0.00 126 G 8.89 3.96 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 0.00 0.00 0.00 127 Y 7.55 4.15 0.00 3.03 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 0.00 128 R 7.39 4.83 0.00 1.54 1.87 0.00 3.53 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 *131 V 7.98 4.00 2.20 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 1.05 0.00 0.00 0.96 0.00 0.00 132 P 0.00 5.24 0.00 2.17 2.06 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 133 V 9.21 5.02 2.24 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 1.09 0.00 0.00 1.05 0.00 0.00 134 H 8.45 5.42 0.00 3.18 3.70 0.00 5.48 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 8.54 4.87 0.00 2.75 2.93 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 0.00 136 I 8.13 3.22 0.89 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.36 -0.18 0.00 0.00 137 H 6.03 4.38 0.00 2.49 3.18 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.26 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.77 4.01 0.00 3.69 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.07 4.38 0.00 3.15 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 0.00 141 V 7.62 3.71 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 0.43 0.00 0.00 0.87 0.00 0.00 142 R 8.53 3.87 0.00 2.03 2.13 0.00 3.52 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 143 S 8.00 4.19 0.00 3.99 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 0.00 144 H 7.41 4.44 0.00 2.98 3.35 0.00 5.87 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 6.85 4.71 0.00 3.15 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 0.00 146 N 8.94 4.83 0.00 2.95 2.69 0.00 0.00 6.62 7.99 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 0.00 147 S 8.40 5.24 0.00 3.76 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 0.00 148 I 8.34 4.66 1.88 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 1.12 0.87 0.94 0.00 0.00 149 E 8.85 4.30 0.00 1.94 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 0.00 2.19 2.22 0.00 150 I 9.27 4.59 1.87 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 1.35 0.94 0.93 0.00 0.00 151 G 7.36 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.40 4.57 1.85 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 1.29 0.90 0.92 0.00 0.00 153 Q 9.05 3.97 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.50 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 154 D 7.92 4.94 0.00 2.79 2.69 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 0.00 155 A 7.80 4.74 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.60 0.00 2.27 2.07 0.00 3.69 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 2.01 2.00 0.00 157 R 8.94 4.27 0.00 1.96 1.88 0.00 3.13 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 158 P 0.00 4.33 0.00 2.15 2.10 0.00 3.54 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 159 R 7.85 4.69 0.00 1.81 1.84 0.00 3.03 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 160 E 8.08 5.28 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 161 I 8.60 4.71 1.40 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.59 -0.18 0.00 0.00 162 L 8.74 4.84 0.00 1.51 1.45 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.75 4.93 0.00 2.18 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 0.00 164 A 8.71 5.32 1.22 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 0.00 0.00 165 L 9.11 5.37 0.00 1.69 1.61 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.18 5.61 2.15 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 1.34 0.00 0.00 0.99 0.00 0.00 *168 G 8.39 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 169 T 7.81 5.30 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 170 G 7.22 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 0.00 171 A 8.30 4.06 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 0.00 172 R 8.35 4.02 0.00 1.87 1.87 0.00 3.17 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 173 V 8.31 3.70 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 0.65 0.00 0.00 0.71 0.00 0.00 174 H 7.75 4.99 0.00 3.12 3.24 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 7.70 4.12 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 0.00 176 R 8.27 4.59 0.00 1.90 1.97 0.00 3.00 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 177 L 8.19 4.64 0.00 1.68 1.73 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.54 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 G 8.71 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 0.00 0.00 0.00 180 L 8.34 4.01 0.00 1.76 1.75 0.90 0.66 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 0.00 181 T 8.04 4.80 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 1.24 0.00 0.00 182 K 8.34 3.77 0.00 1.72 1.85 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.52 1.01 7.81 183 E 7.55 3.92 0.00 1.99 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 2.33 2.29 0.00 184 A 7.55 4.25 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 V 7.31 3.81 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 0.62 0.00 0.00 1.09 0.00 0.00 186 S 8.72 4.62 0.00 3.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 7.82 3.74 1.99 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 0.83 0.00 0.00 0.94 0.00 0.00 188 H 7.86 4.06 0.00 3.35 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.22 4.62 0.00 2.79 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 0.00 190 G 8.28 4.13 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 0.00 191 Q 8.99 4.64 0.00 2.49 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 192 R 7.92 4.24 0.00 1.76 1.67 0.00 2.98 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 * Residues marked with a * may have inaccurate shift predictions.