NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.0803 8.2644 123.5156 51.8682 19.3528 175.2093 5 E 4.4847 6.3769 122.3925 51.7852 33.9014 172.5667 6 W 5.2080 7.4579 119.3199 55.9167 31.2248 172.7091 7 E 4.8269 9.2418 118.4483 54.4996 32.7057 175.0261 8 S 5.1703 9.1955 118.8156 58.9511 63.5691 173.8101 9 I 4.5698 8.9739 118.7644 60.1114 39.2402 175.4327 10 T 4.5401 8.2100 113.3920 59.3056 71.1167 172.0136 11 P 4.5657 0.0000 0.0000 60.9592 32.7180 173.7611 12 P 4.4571 0.0000 0.0000 62.8792 32.2909 175.7144 13 V 4.0804 8.2474 121.9907 61.4264 32.4063 175.9290 14 V 3.9020 8.3408 121.2392 61.2391 32.8400 175.4074 15 D 4.3780 8.6805 120.7918 55.3243 38.2413 174.1149 16 A 4.3839 7.9985 120.5195 51.0010 19.3233 176.7122 17 P 4.4239 0.0000 0.0000 62.6941 32.3339 176.4476 18 A 4.2659 8.7856 122.0383 54.6486 19.3515 177.8051 19 V 4.9097 8.0513 113.6467 61.0985 34.5983 175.3092 20 V 4.5763 9.0889 127.0945 60.9790 34.8460 173.5829 21 E 5.2146 8.9039 128.2657 54.4955 32.3518 174.4506 22 F 5.2161 9.7379 127.3628 57.0701 40.7176 175.0495 23 F 5.2713 9.1311 117.4815 55.6962 42.1307 172.9395 24 S 4.0717 8.2924 112.0436 56.1648 65.4708 174.6095 25 F 4.2432 8.7790 123.8262 59.6040 38.7499 175.5239 26 Y 4.4607 7.9737 117.3357 58.2915 38.5392 175.4521 27 C 4.5447 8.0724 121.7429 57.3592 32.4154 171.7203 28 P 4.3466 0.0000 0.0000 65.5417 31.0491 176.9336 29 P 4.0892 0.0000 0.0000 65.4078 31.1663 178.5341 30 C 3.9472 7.8791 115.3727 62.7371 28.1000 174.9909 31 Y 2.7224 7.9659 120.8382 60.3309 38.1506 178.1619 32 A 3.6094 8.0812 121.6672 55.1823 18.5184 179.5653 33 F 4.1313 8.4361 116.6776 60.6822 38.7149 177.8943 34 S 4.2023 7.8282 111.4997 60.8323 62.5271 175.2310 35 Q 4.4435 8.0436 119.7580 56.1215 29.8238 177.1473 36 T 4.3022 6.8245 114.2640 63.5173 69.0673 174.7364 *38 G 3.7672 7.8693 109.4961 45.3110 0.0000 176.0195 39 V 3.2893 7.6920 120.8872 65.6387 31.4200 176.9974 40 D 4.3207 7.8994 118.6605 57.6432 40.6809 178.9193 41 Q 3.8871 7.9511 118.9787 59.1390 28.9528 177.8161 42 A 3.9873 7.8783 120.7671 55.1336 18.6358 179.4685 43 I 3.8112 7.9381 118.4640 64.6919 37.2492 178.8555 44 R 3.9497 8.2342 119.0939 59.4638 29.6369 178.4938 45 H 4.3363 8.2728 116.9393 58.0852 29.8430 176.6125 46 V 4.2547 7.2324 111.9328 59.8022 32.1249 175.5932 47 L 4.0385 7.1975 120.4334 54.0132 42.0771 175.6260 48 P 4.3945 0.0000 0.0000 62.0028 32.0379 175.4515 49 Q 4.1192 8.3279 121.2814 57.7958 29.3484 175.6427 50 G 4.1579 8.9415 113.0970 45.7482 0.0000 174.1722 51 S 4.5136 7.4095 114.0259 58.4046 64.3803 173.9809 52 R 4.4436 7.8912 120.1560 55.4241 32.8760 174.0096 *54 V 4.0529 8.3316 116.1273 62.6783 33.0931 174.9283 55 K 4.9030 8.5571 125.5213 54.7739 34.7474 174.9913 56 Y 5.2359 8.5825 121.5196 56.5209 41.2422 174.4233 57 H 4.0886 9.4866 124.0200 55.3642 30.9865 174.6214 58 V 4.4927 7.4089 117.5162 59.9448 33.5085 176.2079 59 S 4.4865 8.3431 119.2265 59.4727 63.6631 176.5260 60 L 3.8813 7.5943 119.6934 57.4773 40.4323 176.7985 61 L 4.2407 7.6547 120.8547 54.2195 43.3786 176.3999 62 G 2.9703 8.2085 111.9880 43.9862 0.0000 172.6101 63 P 4.1490 0.0000 0.0000 65.3053 31.4731 177.7560 64 L 4.9232 8.0663 116.0630 54.0018 42.1217 178.4278 65 G 4.5681 7.9578 109.9201 48.1641 0.0000 175.9717 66 H 4.3391 8.1967 118.2406 58.0316 28.7394 177.6919 67 E 4.0322 8.1647 120.2211 59.2216 29.3400 179.0779 68 L 3.7507 8.1813 119.2848 58.0959 41.6059 179.5157 69 T 3.9147 7.7851 115.4065 66.8939 68.4017 176.5904 70 R 3.9297 8.0930 120.0198 59.2134 30.0328 178.3674 71 A 4.0537 8.3120 121.0123 54.9420 18.1922 179.4335 72 W 4.3368 9.0054 126.1402 60.6454 30.9127 177.5175 73 A 4.1987 8.3939 120.1831 55.2060 17.8045 179.2059 74 L 4.0332 7.8047 117.4794 58.1798 42.4160 178.9694 75 A 3.9639 8.2568 119.4988 53.3822 18.6780 178.3293 *77 V 3.9021 7.4734 116.8183 64.0370 32.7393 175.8482 *79 K 4.1582 7.8432 115.0242 56.4447 33.3222 175.9633 80 E 4.6589 8.3054 115.7881 56.0459 30.6389 178.8003 81 T 3.4594 7.8990 113.3390 64.6435 68.3129 175.1209 82 D 4.4256 8.1194 121.4849 56.8855 39.1968 179.2317 83 V 3.6312 7.6447 114.0820 63.5123 31.5796 178.6029 84 I 3.5320 7.7919 119.7943 64.0183 36.9593 178.1423 85 E 4.5458 8.9901 120.7963 59.3885 29.6337 178.6781 86 K 4.3626 8.2410 120.6615 59.0242 32.1806 178.5478 87 A 3.8790 8.1128 120.9658 55.2842 18.2966 179.6752 88 F 4.0314 8.0552 116.2139 60.2387 38.5215 178.2007 89 F 4.6524 8.0279 116.9356 60.7364 39.0783 177.5476 90 T 4.0790 8.2208 115.2347 66.7565 68.2821 176.4547 91 A 4.1178 8.3128 122.9170 54.8459 18.4591 179.0927 92 G 3.6154 8.0888 102.0302 45.9012 0.0000 175.5922 *94 V 3.9428 7.5086 119.6204 62.7671 33.1170 176.0944 95 E 4.2042 8.7754 117.6626 56.1697 29.9147 176.6613 96 K 3.9708 7.9626 117.4963 57.7011 30.6255 175.7659 97 R 4.5560 8.2412 109.4890 55.1506 29.1332 177.2269 98 L 4.6486 7.1594 116.5904 53.4864 42.8235 175.8064 99 H 4.9075 9.6271 119.3987 55.6730 31.3775 174.7399 100 S 4.8857 7.8280 111.7794 54.8393 66.3076 172.8959 101 P 4.3192 0.0000 0.0000 65.9590 30.8831 178.7046 102 D 4.3944 7.8312 116.4717 57.2737 40.5724 178.4600 103 D 4.3387 7.8951 119.0341 57.3128 40.8503 178.8177 104 V 3.8680 7.8609 118.1097 66.3318 31.3117 177.8688 105 R 3.2055 7.5310 116.3813 59.0210 29.8716 178.0853 106 R 3.9134 7.7961 117.6226 59.5270 30.5009 178.4329 107 V 3.6219 8.0596 118.3506 65.5911 31.3515 177.8112 108 F 3.7576 7.9229 117.1770 59.0549 38.7038 176.3924 *110 S 4.2658 8.0300 113.0195 57.6720 63.8521 174.7352 111 A 4.0772 7.7833 122.3520 54.0121 18.3381 178.0363 112 T 4.1900 7.7704 104.2779 60.9875 70.2623 175.9033 113 G 3.9007 8.2953 108.9345 45.1747 0.0000 173.3394 114 I 3.9065 7.2936 119.5561 60.6640 38.7343 176.3222 115 S 4.5590 8.3820 120.6870 57.3628 65.5607 175.0433 116 R 3.9985 8.6647 122.8306 60.0478 29.7206 178.9601 117 G 3.6485 8.0766 104.6289 47.7114 0.0000 175.1260 118 E 3.9956 8.1734 121.2568 58.9662 29.6568 178.0903 119 Y 3.8800 8.4291 120.0674 60.9960 38.6782 178.0027 120 D 4.4693 8.1089 118.1494 57.4878 40.8925 178.7566 121 R 4.0865 7.8920 118.1062 59.0083 30.0545 179.1325 122 S 4.2472 8.1891 115.3798 61.1590 62.7667 176.3541 123 I 3.2942 7.7893 121.2732 62.8024 37.6894 176.3435 124 K 4.4956 7.0858 117.5119 56.0496 32.9350 176.9460 125 S 4.2529 8.0165 115.8975 58.0727 64.7284 173.0545 126 P 4.2011 0.0000 0.0000 66.1080 30.8975 178.7916 127 A 4.0558 7.8855 117.5940 55.1201 18.3654 179.3823 128 V 3.6964 7.4246 115.7729 65.9426 31.8827 177.5324 129 N 4.5106 8.5690 116.7587 56.4784 38.2826 177.7158 130 D 4.5973 8.2942 117.1779 54.9833 40.6418 178.4604 *132 V 3.9793 7.7705 120.9981 63.0012 33.4856 177.1973 133 A 3.9916 8.1969 121.4233 55.2150 18.1083 179.2546 134 L 3.8871 8.2136 118.9953 58.5385 42.2692 179.2394 135 Q 3.8557 8.0205 117.3639 59.0515 28.6498 178.5167 136 E 4.0929 8.3377 119.6566 58.9983 29.4819 179.3348 137 R 4.0074 8.4340 119.3273 59.6180 30.2403 178.7467 138 L 4.2610 8.4580 118.9783 57.4304 41.5425 179.1759 139 F 3.6711 8.3437 120.7938 61.2194 39.1382 177.3096 140 K 4.1062 7.8765 116.6212 59.3035 31.7134 179.3206 141 E 3.9089 8.0536 118.1434 59.4292 29.4644 177.6571 142 Y 3.7293 8.0454 114.3079 57.8251 38.1658 175.4153 143 G 3.7118 7.3715 107.7543 46.2081 0.0000 174.5253 144 V 3.4732 6.7630 118.2769 62.0155 31.8225 175.6592 145 R 4.4871 8.1532 123.2388 55.2762 32.1203 175.3770 146 G 4.0409 7.0731 103.8957 45.8572 0.0000 171.8635 147 T 5.0559 8.2127 108.0626 58.9656 71.9522 172.1790 148 P 4.7464 0.0000 0.0000 63.1777 32.5748 175.8545 149 S 4.7110 9.4568 118.1954 57.0343 66.0197 172.9773 150 V 4.8316 8.4034 125.4058 61.6043 33.0258 173.9959 151 Y 5.3710 9.6006 125.3896 56.2654 41.5523 174.5068 152 V 4.6512 9.3833 123.8344 62.0553 34.0932 175.8202 153 R 3.8807 10.1743 126.3640 57.1222 28.5294 177.1034 154 G 4.1037 8.5894 102.7870 46.0803 0.0000 175.6506 155 R 4.6440 8.3537 115.8165 55.2463 32.2437 174.5206 156 Y 5.3961 7.8735 117.6022 56.4134 41.0712 173.9953 157 H 5.1371 9.7785 125.2248 54.6328 31.4584 174.2538 158 I 4.1691 8.4260 128.0037 61.4893 38.0212 175.9869 159 N 4.5996 9.2047 126.4077 52.2533 38.2701 175.0146 160 N 4.8754 9.1531 124.1795 56.2053 38.9360 176.0366 161 A 4.5989 8.4343 118.6829 52.1726 18.6922 177.1211 162 A 4.5716 8.1365 118.6459 52.4507 19.3748 177.0767 163 F 4.7809 8.1781 115.6340 56.1571 41.3664 175.3844 164 G 4.2481 8.1867 111.5668 43.9474 0.0000 171.7657 165 A 4.2582 8.1738 122.0832 51.5710 21.5893 176.4753 166 F 5.0440 8.5361 118.2321 58.2102 39.9557 176.7492 167 S 4.8316 7.6292 115.3074 55.4838 67.3709 174.7115 168 V 3.5714 8.3692 122.3438 66.3398 31.3431 178.0427 169 E 3.9737 8.1142 118.4655 59.3820 29.5157 178.4226 170 N 4.3809 8.2407 116.5888 55.9720 38.6298 177.1506 171 F 3.9223 8.4502 122.2814 61.2911 39.5074 177.0435 172 R 3.7999 8.5514 118.5611 59.6860 29.8340 178.6270 173 S 4.0908 7.9356 114.6403 61.6825 62.9253 177.0016 174 R 3.9083 8.1346 120.9626 59.1066 29.8866 178.4419 175 Y 2.6867 7.5286 119.0808 60.3099 38.7310 178.0682 176 A 3.9637 8.0584 121.4398 54.9014 18.3159 179.4047 177 A 3.8920 8.0936 119.5503 55.3392 18.4388 180.0809 178 V 3.4861 7.6256 116.2966 66.0083 31.6428 178.4314 179 V 3.4339 7.5066 117.8144 65.8049 31.1321 177.6313 180 R 3.7700 8.1677 117.5715 59.5041 30.1611 177.6318 181 K 3.8877 8.1610 119.3755 59.8751 31.9143 178.5316 182 L 3.7298 7.4707 116.8441 56.7368 41.5717 178.5211 183 L 4.2564 7.4628 116.9719 54.5252 42.2042 177.0647 184 A 4.0836 7.1624 122.4832 51.6970 19.0308 177.8043 185 G 3.4749 8.6660 108.1145 45.5661 0.0000 172.9696 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 4 A 8.26 4.08 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 E 6.38 4.48 0.00 1.80 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 6 W 7.46 5.21 0.00 3.46 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 7 E 9.24 4.83 0.00 2.09 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 0.00 2.47 2.47 0.00 8 S 9.20 5.17 0.00 3.96 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 9 I 8.97 4.57 1.92 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 1.44 0.55 1.23 0.00 0.00 10 T 8.21 4.54 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 11 P 0.00 4.57 0.00 2.11 2.04 0.00 3.43 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 1.91 2.06 0.00 12 P 0.00 4.46 0.00 1.88 1.93 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 13 V 8.25 4.08 1.70 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 0.58 0.00 0.00 -0.25 0.00 0.00 14 V 8.34 3.90 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 0.71 0.00 0.00 0.91 0.00 0.00 15 D 8.68 4.38 0.00 2.85 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 16 A 8.00 4.38 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.42 0.00 2.24 2.05 0.00 3.92 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 2.14 2.21 0.00 18 A 8.79 4.27 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 19 V 8.05 4.91 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 0.84 0.00 0.00 0.96 0.00 0.00 20 V 9.09 4.58 2.13 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 0.58 0.00 0.00 1.03 0.00 0.00 21 E 8.90 5.21 0.00 2.11 1.75 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 2.31 2.40 0.00 22 F 9.74 5.22 0.00 3.19 3.12 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 23 F 9.13 5.27 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 24 S 8.29 4.07 0.00 3.66 3.64 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 25 F 8.78 4.24 0.00 2.76 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 26 Y 7.97 4.46 0.00 3.01 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 27 C 8.07 4.54 0.00 3.08 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 28 P 0.00 4.35 0.00 2.21 2.14 0.00 3.69 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 29 P 0.00 4.09 0.00 1.83 1.82 0.00 3.51 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 2.02 2.09 0.00 30 C 7.88 3.95 0.00 3.36 3.24 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 31 Y 7.97 2.72 0.00 2.76 3.07 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 32 A 8.08 3.61 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 33 F 8.44 4.13 0.00 3.00 3.11 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 34 S 7.83 4.20 0.00 4.03 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 35 Q 8.04 4.44 0.00 1.33 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.07 2.64 0.00 36 T 6.82 4.30 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 1.10 0.00 0.00 *38 G 7.87 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 0.00 0.00 0.00 39 V 7.69 3.29 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 0.45 0.00 0.00 40 D 7.90 4.32 0.00 2.77 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 41 Q 7.95 3.89 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 42 A 7.88 3.99 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 43 I 7.94 3.81 2.01 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 1.54 0.90 0.93 0.00 0.00 44 R 8.23 3.95 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 45 H 8.27 4.34 0.00 3.20 3.52 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.23 4.25 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 0.81 0.00 0.00 0.98 0.00 0.00 47 L 7.20 4.04 0.00 1.76 1.61 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.39 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 49 Q 8.33 4.12 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 50 G 8.94 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 *132 V 7.77 3.98 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 1.01 0.00 0.00 1.04 0.00 0.00 133 A 8.20 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.21 3.89 0.00 1.75 1.68 0.92 0.91 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 0.00 135 Q 8.02 3.86 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 136 E 8.34 4.09 0.00 2.02 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 0.00 2.54 2.46 0.00 137 R 8.43 4.01 0.00 1.92 2.16 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 138 L 8.46 4.26 0.00 1.74 2.15 0.65 1.01 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 0.00 139 F 8.34 3.67 0.00 3.38 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.11 0.00 2.06 1.87 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.82 7.81 141 E 8.05 3.91 0.00 1.92 1.82 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 2.30 2.46 0.00 142 Y 8.05 3.73 0.00 2.48 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 0.00 143 G 7.37 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 0.00 0.00 0.00 144 V 6.76 3.47 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 0.00 0.00 0.58 0.00 0.00 -0.40 0.00 0.00 145 R 8.15 4.49 0.00 1.78 1.91 0.00 3.35 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 146 G 7.07 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 0.00 0.00 0.00 147 T 8.21 5.06 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 148 P 0.00 4.75 0.00 2.10 1.94 0.00 3.52 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.96 0.00 149 S 9.46 4.71 0.00 3.95 3.80 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 0.00 150 V 8.40 4.83 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 1.20 0.00 0.00 1.25 0.00 0.00 151 Y 9.60 5.37 0.00 3.13 3.13 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 0.00 152 V 9.38 4.65 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 1.13 0.00 0.00 0.98 0.00 0.00 153 R 10.17 3.88 0.00 1.90 1.94 0.00 3.38 0.00 0.00 3.45 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 154 G 8.59 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 0.00 0.00 0.00 155 R 8.35 4.64 0.00 1.16 1.85 0.00 2.21 0.00 0.00 2.94 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 0.00 156 Y 7.87 5.40 0.00 2.86 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 0.00 157 H 9.78 5.14 0.00 3.41 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.43 4.17 1.89 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 1.25 0.80 0.62 0.00 0.00 159 N 9.20 4.60 0.00 2.74 2.79 0.00 0.00 6.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 N 9.15 4.88 0.00 2.95 3.20 0.00 0.00 7.09 7.35 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 0.00 161 A 8.43 4.60 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 0.00 162 A 8.14 4.57 1.03 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 0.00 163 F 8.18 4.78 0.00 2.98 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 0.00 164 G 8.19 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 0.00 0.00 0.00 0.00 165 A 8.17 4.26 1.40 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 0.00 0.00 166 F 8.54 5.04 0.00 3.11 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 0.00 167 S 7.63 4.83 0.00 4.03 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 0.00 168 V 8.37 3.57 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 0.93 0.00 0.00 0.90 0.00 0.00 169 E 8.11 3.97 0.00 2.08 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 2.38 2.39 0.00 170 N 8.24 4.38 0.00 2.84 2.85 0.00 0.00 6.66 8.15 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 0.00 171 F 8.45 3.92 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.55 3.80 0.00 1.87 1.98 0.00 3.22 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 1.56 1.57 0.00 173 S 7.94 4.09 0.00 3.91 3.87 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 0.00 174 R 8.13 3.91 0.00 1.81 2.07 0.00 3.18 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 175 Y 7.53 2.69 0.00 2.21 2.42 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 0.00 176 A 8.06 3.96 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 0.00 177 A 8.09 3.89 1.40 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 0.00 0.00 178 V 7.63 3.49 2.26 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 1.05 0.00 0.00 1.09 0.00 0.00 179 V 7.51 3.43 2.13 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 0.92 0.00 0.00 0.84 0.00 0.00 180 R 8.17 3.77 0.00 1.85 2.14 0.00 3.31 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 181 K 8.16 3.89 0.00 1.77 1.88 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.42 7.81 182 L 7.47 3.73 0.00 1.58 1.39 0.35 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.46 4.26 0.00 1.77 1.69 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.16 4.08 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 0.00 185 G 8.67 3.47 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.