NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1068 8.0393 114.0596 61.2945 32.3696 175.9520 3 Q 4.2481 8.2243 128.6685 55.7945 26.9105 174.2469 4 A 4.4922 8.2732 123.0144 54.6809 22.2008 179.6080 5 Q 4.1601 7.8190 112.5065 57.4676 29.8184 178.4298 6 T 3.6448 7.8823 113.1646 64.9326 68.0076 175.7404 7 R 3.5713 7.7472 121.1527 59.6743 29.5188 178.2409 8 D 4.4293 7.5446 117.9688 57.3554 40.5934 178.7446 9 Q 4.0162 7.8817 119.9649 58.4964 28.9587 177.4898 10 I 3.9486 7.7351 113.3126 62.4395 38.0048 177.9246 11 V 3.4818 7.4584 119.0719 65.2578 31.2498 177.4284 12 A 4.0442 7.7285 119.9256 54.4794 18.6556 179.0934 13 A 3.8768 7.6553 119.3477 54.7422 18.3497 179.8215 14 A 3.2543 7.9831 119.9957 54.9983 18.5131 178.8940 15 D 4.4232 7.9396 117.0109 57.8541 41.2331 178.4618 16 E 3.9687 8.2529 119.4292 59.2374 29.5603 178.7975 17 L 3.9771 7.8903 119.0828 57.8299 41.5895 179.5278 18 F 4.9498 8.7219 120.1667 60.1918 38.5842 177.2328 19 Y 4.2622 7.8672 118.2618 60.8535 38.7665 177.6822 20 R 3.0694 7.7486 117.0165 57.4202 30.2849 177.2900 21 Q 4.3604 8.4261 116.7010 55.2426 31.0826 176.7202 22 G 4.0781 8.2815 103.4277 45.0181 0.0000 174.4256 23 F 3.5561 9.7077 121.8485 60.8071 39.4488 177.7591 24 A 3.4341 7.7485 121.3415 54.2140 18.3722 178.0161 25 Q 4.2724 7.8778 112.3775 56.3225 29.1635 175.3259 26 T 4.6518 7.3179 116.0079 62.1258 70.0568 175.1208 27 S 4.7382 9.0725 121.9682 56.5816 66.7215 175.3759 28 F 4.1938 8.3883 119.7800 60.4684 38.4837 178.0935 29 V 3.6702 7.6483 119.7021 64.3402 30.8434 177.5202 30 D 4.3997 7.7700 119.6495 57.6152 40.9208 179.4060 31 I 3.7510 7.6686 119.4906 64.2438 37.0228 178.6933 32 S 4.4240 8.7411 115.3773 61.0761 61.6354 176.3243 33 A 4.0582 8.6735 124.4721 54.3666 17.8380 179.5805 34 A 3.9535 7.5014 119.2010 55.4687 18.6482 179.8227 35 V 4.0473 7.3293 107.8139 61.0068 32.6997 174.3560 36 G 3.7237 8.8764 107.0119 45.2635 0.0000 172.0917 37 I 4.5451 8.1396 116.8450 58.1329 40.9395 176.3346 38 S 4.4492 8.5637 118.4093 58.0567 64.6978 175.6081 39 R 4.0474 8.6214 119.1829 59.3458 28.7899 178.9387 40 G 3.8450 8.2742 106.0720 47.7903 0.0000 174.8354 41 N 4.4108 7.9877 118.8081 56.2550 39.1403 176.4280 42 F 4.1418 8.9478 122.4920 61.3670 39.4596 176.6350 43 Y 4.8353 9.1816 117.5112 59.6670 37.9111 177.7839 44 Y 4.4381 7.8263 120.2643 60.3287 38.9815 175.7731 45 H 4.1861 8.1129 115.1310 55.8732 30.2590 175.0308 46 F 5.0898 7.4612 117.0144 55.9852 42.6271 174.8798 47 K 5.0387 9.2767 123.0781 56.9972 33.8975 176.8392 48 T 5.1214 7.9237 108.5225 58.9932 73.2552 174.6479 49 K 4.4743 8.9226 121.6728 60.0905 32.1868 179.3087 50 D 4.6030 8.3936 118.7113 57.3862 40.6339 178.4654 51 E 4.1014 8.4835 119.1068 59.5347 29.4939 179.4668 52 I 2.7246 7.6095 119.4614 64.2213 37.0957 177.5911 53 L 3.9927 8.6120 120.9499 58.6257 41.7178 178.6044 54 A 4.1283 8.1407 119.9143 55.6709 18.2458 179.6262 55 E 3.9400 7.9872 116.6981 59.3953 29.3102 179.4691 56 V 3.5553 7.9251 118.4105 66.2742 31.5153 178.1004 57 I 3.7201 8.1329 119.7502 64.3049 36.8816 178.5873 58 R 3.8719 8.0034 118.8680 59.1571 29.8774 178.6526 59 L 3.9057 8.1743 120.2987 58.4231 42.0933 179.2517 60 R 3.8480 8.9963 118.7167 59.0897 29.9845 178.9701 61 L 3.8782 8.1346 118.7253 57.9770 41.8198 179.6139 62 A 3.9878 8.0846 120.4628 54.8215 18.0281 179.8528 63 R 3.7534 7.9532 116.3922 59.9319 30.2677 179.2019 64 T 3.7149 8.0715 114.0600 66.3333 68.5286 176.1757 65 A 3.8741 7.8369 122.9898 54.8031 18.2262 179.0108 66 Q 3.7934 7.7108 115.7236 57.2136 30.2957 179.0380 *68 L 2.9384 7.9238 119.1260 53.8624 43.5096 178.9067 69 A 4.0970 7.7856 119.0271 55.6057 18.4758 179.2670 70 D 4.4629 8.6958 117.6436 57.1061 40.7219 178.9872 71 W 4.6036 8.0266 119.2736 60.0561 28.8559 177.9050 72 Q 4.3922 8.4914 118.6275 58.9543 28.4721 177.1627 73 G 4.1226 7.6905 107.0170 45.6175 0.0000 173.8830 74 T 4.4296 8.2139 111.7516 62.1423 70.5487 175.1841 75 G 3.8880 8.0764 111.3506 44.4221 0.0000 173.3231 76 D 4.4392 8.8389 125.2182 55.2697 38.9262 175.5459 77 S 4.8235 7.6282 113.2096 55.1482 66.3762 172.3607 78 P 4.4121 0.0000 0.0000 65.7353 31.3045 178.0581 79 R 3.7541 7.8606 117.7658 59.0922 29.9889 178.2082 80 A 4.0494 7.7918 120.6947 54.6719 18.2928 179.9249 81 R 4.4307 7.2582 115.2096 58.9471 30.4235 178.8534 82 I 3.6659 7.6163 119.3869 64.8093 36.9977 178.0958 83 A 4.0882 8.1129 121.2308 54.8365 18.1792 179.5050 84 S 3.8838 7.6997 113.9443 61.7787 62.6299 176.4878 85 F 2.9775 6.9682 121.2780 61.1738 39.1046 176.9998 86 I 3.6329 7.4328 117.3996 64.5402 37.1551 177.8887 87 D 4.5804 8.4348 117.1219 54.9665 40.8645 178.5071 88 L 4.1525 7.4213 123.0451 54.8868 42.6687 177.1272 *90 I 3.9723 7.5679 114.6261 61.0445 38.8230 175.9337 *92 N 4.6923 7.8562 116.7456 53.0665 39.8783 176.9867 93 R 4.0315 8.0963 117.2273 58.9361 29.7864 177.4653 94 A 3.9794 7.9258 121.4694 54.8901 18.1645 179.4787 95 K 4.0658 8.0732 116.4855 59.7543 32.2883 179.1398 96 I 4.1716 8.1207 121.5474 64.2299 37.0749 178.6546 97 T 3.9527 7.7435 109.9322 64.5546 68.3058 176.6195 98 R 3.6623 7.5855 120.5232 58.7864 30.2905 177.1841 99 Y 4.7130 8.7115 112.8647 56.4856 39.3721 176.6012 100 G 4.3840 8.4979 109.0377 45.6676 0.0000 172.1043 101 C 4.5075 8.3806 118.2385 58.3548 32.6266 172.2942 102 P 4.3272 0.0000 0.0000 65.8940 30.5429 178.9176 103 V 3.3695 7.5252 117.4594 65.4579 31.6751 177.8207 104 G 3.9801 8.0112 105.1067 48.1999 0.0000 175.5672 105 S 4.6040 8.4025 118.6164 59.7792 62.8652 176.3048 106 L 3.9555 7.5193 124.2094 58.3739 42.0246 178.3121 107 C 4.1638 8.3712 117.1778 63.2686 27.7221 176.4156 108 T 4.0512 8.6992 111.4626 64.4087 68.4758 176.5899 109 E 3.9666 8.0625 121.9565 59.2570 29.7249 178.8127 110 L 4.0523 8.4327 119.4781 57.4412 41.5759 179.4562 111 S 4.0616 8.1984 113.3631 61.3517 62.1900 176.0712 112 K 3.9431 7.6124 120.6086 59.5289 32.0397 178.1910 113 L 4.1175 7.8941 116.9569 54.7049 42.8556 176.0892 114 D 4.3611 7.7184 118.0549 55.3700 40.0009 172.2598 115 H 4.8156 8.1670 119.5817 54.0231 32.2074 174.9385 116 A 3.9019 8.4932 128.7263 55.5083 18.3721 178.3705 117 A 4.3011 8.1512 115.7673 52.8426 19.1063 178.7216 118 Q 4.1361 8.4497 118.9556 59.3288 28.7742 178.7722 119 G 3.7922 7.9750 105.3582 47.6103 0.0000 175.0882 120 Q 4.1101 7.9646 121.2538 58.8677 29.2827 177.8773 121 A 3.9893 8.4074 122.3996 55.1840 18.4314 179.1768 122 N 4.6273 8.9697 115.8536 56.3641 39.0068 176.9372 123 G 3.9024 7.7587 106.3885 48.0053 0.0000 175.5243 124 L 4.1187 7.9034 120.7469 57.7766 41.5781 179.4315 125 F 4.5620 8.3522 117.9749 60.8408 38.6435 177.9851 126 T 4.0522 8.0945 114.3412 66.9848 68.5123 175.8230 127 L 4.0386 8.3241 121.1021 57.4389 41.4658 179.0811 128 F 4.0013 8.6158 116.7021 61.1713 39.2526 177.9880 129 R 4.0260 8.5163 117.9284 59.7060 29.7049 178.3311 130 D 4.4500 8.4568 118.8575 57.0586 40.9460 178.5687 131 W 4.1135 8.2406 128.4771 60.3808 30.7308 177.9630 132 L 3.9441 8.6004 119.3632 57.7746 41.0393 179.2538 133 Q 4.3041 8.2743 119.6534 59.2421 28.9866 178.2689 134 R 3.9200 8.3445 120.0885 59.1890 30.0211 178.3030 135 Q 3.5801 7.6906 118.0969 58.8400 28.5459 178.4319 136 F 4.2019 8.1227 118.5575 61.0963 38.7709 177.2149 137 A 4.1451 7.8882 119.3013 55.5489 18.3052 178.9600 138 E 4.0547 8.3049 115.3782 57.6553 29.7415 178.3382 139 A 4.5062 7.5016 120.7125 53.1086 19.9186 176.8860 140 G 3.5983 7.6447 112.7222 46.5385 0.0000 173.1932 141 C 4.2654 7.9190 122.0249 58.8288 32.3112 174.1989 142 T 4.3587 8.4015 124.5468 66.0026 68.4636 176.7503 143 T 4.1331 7.8446 116.7242 65.5507 69.0655 175.5020 144 E 4.2850 7.9857 118.7763 56.5359 30.0934 177.1257 145 A 4.1253 7.3851 119.1023 55.4634 18.0600 177.8116 146 P 4.2080 0.0000 0.0000 65.8597 31.6318 178.3612 147 A 4.1399 7.8333 117.5913 54.8934 18.5944 178.9674 148 L 4.0689 8.2228 117.8065 57.9435 41.5578 180.6982 149 A 4.5467 7.8358 116.8394 53.3000 18.1296 178.5571 *151 H 4.4866 8.0773 121.1795 57.5294 31.7407 175.1819 152 L 3.6729 8.1718 120.8311 57.9458 41.9138 178.4237 153 L 4.0639 8.1586 120.0882 58.4746 42.0297 178.8905 154 A 4.0847 7.8542 119.3648 54.4222 18.4678 179.2349 155 R 3.6943 7.8580 117.6031 59.7307 30.2787 179.2922 156 S 4.2129 8.4421 113.6350 61.1959 63.2024 176.3037 157 Q 4.2384 8.0304 121.8201 58.5169 28.5318 178.3593 158 G 3.7004 8.0723 106.1901 47.1560 0.0000 175.9491 159 A 4.0817 8.0836 122.9793 55.1367 18.4773 179.4772 160 A 4.0253 7.9346 119.1246 55.5896 18.5046 180.1356 161 T 3.8934 7.9482 113.7989 66.9725 68.7021 177.1836 162 L 4.1480 8.2247 120.6461 57.6900 41.5424 179.4986 163 A 4.2183 8.3232 120.7633 55.1986 18.4494 179.4881 164 Q 4.5127 8.1782 119.3226 59.1486 28.9774 178.6674 165 S 4.1037 7.7983 114.4956 61.2413 62.9671 175.8904 166 F 4.3224 8.2436 117.4193 56.9733 40.2696 175.3142 167 H 3.9155 7.5694 115.4399 57.2229 26.3306 175.9959 168 D 4.8237 8.4206 117.8673 51.8490 41.5304 174.5249 169 E 4.0979 8.7353 127.1232 58.7606 30.4307 178.9964 170 G 3.8383 8.4917 105.3494 47.9761 0.0000 174.7381 171 F 4.1857 8.3902 123.6358 61.1444 39.3441 176.7889 172 L 3.6950 7.6333 118.4575 58.0798 41.5070 179.0786 173 R 3.8559 8.0605 118.8874 59.1902 30.2194 178.5204 174 S 3.5477 7.9436 113.3023 61.3314 62.5056 176.1441 175 E 3.7312 7.6991 121.8091 58.9288 29.2419 178.9130 176 V 3.6238 7.3402 117.1220 65.8935 31.9729 177.2909 177 A 4.2387 8.7134 121.7214 55.2438 18.3802 179.3547 178 D 4.9248 8.0969 117.1815 54.8115 40.9706 177.8301 *180 H 4.8200 8.1316 116.9399 55.8619 31.0074 176.3851 181 R 4.0044 7.9034 117.6116 58.5827 29.4638 178.7869 182 W 4.2995 7.8641 127.8233 59.8448 30.8219 177.4411 183 L 3.8359 8.1606 118.0012 56.4171 41.4497 177.6722 184 D 4.3452 7.5484 118.1667 57.1797 41.3686 178.1510 185 N 4.5586 7.4600 111.5772 54.6687 37.6612 174.9830 186 T 4.0176 6.9245 112.6465 64.7790 71.1939 176.4372 187 L 4.3288 7.3883 122.6132 54.1088 43.9064 174.5048 188 P 4.4541 0.0000 0.0000 63.4580 31.7676 175.9218 *190 T 4.0882 8.7512 101.8503 61.2538 70.6822 174.6182 191 T 4.1405 8.2090 117.7682 62.3590 67.6982 173.1534 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 V 8.04 4.11 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 0.92 0.00 0.00 0.97 0.00 0.00 3 Q 8.22 4.25 0.00 2.72 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 4 A 8.27 4.49 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 7.82 4.16 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 6 T 7.88 3.64 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 7 R 7.75 3.57 0.00 1.61 2.08 0.00 2.96 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 8 D 7.54 4.43 0.00 2.65 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 9 Q 7.88 4.02 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 10 I 7.74 3.95 1.80 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.98 0.86 0.00 0.00 11 V 7.46 3.48 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 1.04 0.00 0.00 0.98 0.00 0.00 12 A 7.73 4.04 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 13 A 7.66 3.88 1.24 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 0.00 0.00 0.00 14 A 7.98 3.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.94 4.42 0.00 2.87 2.83 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 16 E 8.25 3.97 0.00 2.23 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 2.28 2.37 0.00 17 L 7.89 3.98 0.00 1.72 1.65 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.72 4.95 0.00 3.07 3.08 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 0.00 19 Y 7.87 4.26 0.00 2.86 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 20 R 7.75 3.07 0.00 1.57 1.46 0.00 3.01 0.00 0.00 3.00 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 21 Q 8.43 4.36 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 22 G 8.28 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 0.00 0.00 0.00 0.00 23 F 9.71 3.56 0.00 2.56 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 24 A 7.75 3.43 1.16 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 0.00 0.00 25 Q 7.88 4.27 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 26 T 7.32 4.65 4.77 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 1.36 0.00 0.00 27 S 9.07 4.74 0.00 3.94 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 28 F 8.39 4.19 0.00 2.74 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 3.67 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 1.22 0.00 0.00 0.90 0.00 0.00 30 D 7.77 4.40 0.00 2.89 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 31 I 7.67 3.75 1.93 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 1.41 0.81 0.97 0.00 0.00 32 S 8.74 4.42 0.00 4.17 3.72 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 A 8.67 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.33 4.05 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 0.74 0.00 0.00 1.01 0.00 0.00 36 G 8.88 3.72 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 0.00 0.00 0.00 37 I 8.14 4.55 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.96 0.00 0.00 38 S 8.56 4.45 0.00 4.13 4.10 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 39 R 8.62 4.05 0.00 2.46 2.39 0.00 3.09 0.00 0.00 3.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 40 G 8.27 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 41 N 7.99 4.41 0.00 2.82 3.07 0.00 0.00 7.29 7.06 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 42 F 8.95 4.14 0.00 3.06 2.94 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 43 Y 9.18 4.84 0.00 3.18 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.53 2.54 0.00 52 I 7.61 2.72 2.14 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 0.30 0.46 0.68 0.00 0.00 53 L 8.61 3.99 0.00 1.54 1.72 0.43 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.14 4.13 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 55 E 7.99 3.94 0.00 2.12 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 2.59 2.95 0.00 56 V 7.93 3.56 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.05 0.00 0.00 57 I 8.13 3.72 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.44 0.91 0.00 0.00 58 R 8.00 3.87 0.00 2.07 1.97 0.00 3.16 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 1.65 1.79 0.00 59 L 8.17 3.91 0.00 1.73 1.92 0.87 0.85 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 60 R 9.00 3.85 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 0.00 70 D 8.70 4.46 0.00 2.51 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 71 W 8.03 4.60 0.00 3.49 3.42 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 72 Q 8.49 4.39 0.00 2.67 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.34 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 73 G 7.69 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 74 T 8.21 4.43 4.35 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 1.47 0.00 0.00 75 G 8.08 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 76 D 8.84 4.44 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.63 4.82 0.00 3.93 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 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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 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.97 4.63 0.00 2.91 2.92 0.00 0.00 7.09 7.88 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 0.00 123 G 7.76 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 0.00 124 L 7.90 4.12 0.00 1.56 1.69 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.35 4.56 0.00 3.35 3.08 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 0.00 126 T 8.09 4.05 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 127 L 8.32 4.04 0.00 1.98 1.51 0.82 0.78 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 0.00 128 F 8.62 4.00 0.00 3.23 3.21 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 0.00 129 R 8.52 4.03 0.00 2.10 2.31 0.00 3.15 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 130 D 8.46 4.45 0.00 2.97 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 0.00 131 W 8.24 4.11 0.00 3.32 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 0.00 132 L 8.60 3.94 0.00 1.96 1.84 0.40 0.97 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 0.00 133 Q 8.27 4.30 0.00 2.46 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 134 R 8.34 3.92 0.00 1.86 1.89 0.00 2.94 0.00 0.00 2.87 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 135 Q 7.69 3.58 0.00 1.73 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.51 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 136 F 8.12 4.20 0.00 3.09 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 0.00 137 A 7.89 4.15 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.30 4.05 0.00 1.86 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 2.29 2.46 0.00 139 A 7.50 4.51 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 0.00 140 G 7.64 3.60 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 0.00 0.00 0.00 141 C 7.92 4.27 0.00 2.93 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 0.00 142 T 8.40 4.36 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 0.00 143 T 7.84 4.13 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 0.00 144 E 7.99 4.28 0.00 2.02 1.85 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 2.24 2.28 0.00 145 A 7.39 4.13 1.53 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 0.00 146 P 0.00 4.21 0.00 2.04 2.15 0.00 3.75 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 2.04 2.18 0.00 147 A 7.83 4.14 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 0.00 148 L 8.22 4.07 0.00 1.19 0.13 0.41 0.66 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 0.00 149 A 7.84 4.55 1.60 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 0.00 0.00 *151 H 8.08 4.49 0.00 3.21 3.52 0.00 5.88 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.17 3.67 0.00 2.07 1.88 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.16 4.06 0.00 2.11 1.67 1.18 1.37 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 0.00 154 A 7.85 4.08 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 0.00 155 R 7.86 3.69 0.00 1.86 1.83 0.00 2.97 0.00 0.00 2.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.16 0.00 156 S 8.44 4.21 0.00 4.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 8.03 4.24 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 158 G 8.07 3.70 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 0.00 0.00 0.00 159 A 8.08 4.08 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 0.00 160 A 7.93 4.03 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 0.00 161 T 7.95 3.89 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 1.26 0.00 0.00 162 L 8.22 4.15 0.00 1.91 1.48 0.83 0.80 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 0.00 163 A 8.32 4.22 1.62 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 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 8.18 4.51 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 165 S 7.80 4.10 0.00 3.73 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 0.00 166 F 8.24 4.32 0.00 3.13 3.01 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 0.00 167 H 7.57 3.92 0.00 3.23 3.31 0.00 5.79 0.00 0.00 0.00 0.00 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.42 4.82 0.00 2.66 2.67 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 0.00 0.00 0.00 169 E 8.74 4.10 0.00 2.06 1.95 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 2.39 2.33 0.00 170 G 8.49 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 0.00 0.00 0.00 0.00 171 F 8.39 4.19 0.00 3.03 3.26 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 0.00 172 L 7.63 3.70 0.00 1.91 1.73 0.94 0.87 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 0.00 173 R 8.06 3.86 0.00 1.94 1.90 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 174 S 7.94 3.55 0.00 4.05 4.10 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 0.00 175 E 7.70 3.73 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 1.47 1.74 0.00 176 V 7.34 3.62 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 0.89 0.00 0.00 0.95 0.00 0.00 177 A 8.71 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 0.00 178 D 8.10 4.92 0.00 2.84 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 *180 H 8.13 4.82 0.00 3.50 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 R 7.90 4.00 0.00 1.94 2.07 0.00 3.15 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 182 W 7.86 4.30 0.00 3.25 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 0.00 183 L 8.16 3.84 0.00 2.05 1.91 1.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 184 D 7.55 4.35 0.00 2.87 2.65 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 0.00 0.00 0.00 0.00 185 N 7.46 4.56 0.00 2.56 2.77 0.00 0.00 6.96 7.41 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 0.00 186 T 6.92 4.02 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 0.81 0.00 0.00 187 L 7.39 4.33 0.00 1.41 1.62 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 4.45 0.00 2.08 1.80 0.00 3.51 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 1.84 1.99 0.00 *190 T 8.75 4.09 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 1.18 0.00 0.00 191 T 8.21 4.14 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 * Residues marked with a * may have inaccurate shift predictions.