NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.9344 8.2281 117.7387 57.8339 39.9481 176.7089 4 S 3.9835 8.1239 119.0376 61.1026 62.8896 174.3652 5 N 4.3117 8.9820 120.9196 56.1700 38.6213 178.1688 6 E 4.0028 8.2054 119.2390 59.4668 29.5885 179.1742 7 L 4.1360 8.1961 119.0683 57.9689 41.8243 179.8967 8 K 4.0863 8.4093 118.5112 59.3276 31.7136 179.3939 9 E 4.0152 8.2999 118.4473 59.2498 29.4905 178.7732 10 L 4.0905 8.0517 119.4593 58.0519 42.4496 178.2528 11 F 4.3562 8.5183 120.8938 61.2944 39.2665 177.9556 12 L 4.0247 7.7995 116.4302 55.7505 41.6279 178.1329 *14 N 4.6356 8.1041 116.1197 52.9826 40.6524 176.9532 15 Q 3.8707 7.8478 117.0485 59.0681 28.5680 178.8619 16 T 3.8654 7.9397 116.8761 66.5615 68.4826 176.1335 17 Y 3.9667 7.9686 120.6973 60.7537 39.0023 177.6066 18 A 3.9820 8.4506 122.0470 55.6893 18.3397 179.8157 19 T 3.8561 8.1134 114.1326 66.4558 68.5418 176.5767 20 L 3.9052 8.0427 122.4966 58.2205 42.0534 178.9900 21 F 3.9626 8.0348 120.4636 61.5771 39.4260 177.3260 22 T 3.9058 8.1755 109.4863 64.3711 68.5698 176.3262 23 L 3.9084 8.2238 123.8495 58.3102 42.0904 179.1629 24 T 3.8915 7.8803 109.6353 64.6269 68.5791 176.0771 25 N 4.1171 7.7959 119.2983 56.0339 38.5914 177.2376 26 K 3.9013 8.0078 120.7057 59.6666 32.3423 178.9658 27 I 3.8554 8.1387 120.5642 64.1504 36.8813 178.1767 28 Q 3.9409 8.2934 120.6726 59.3006 29.0626 178.5169 29 I 3.6665 7.6536 120.6361 64.4271 37.1881 178.2953 30 E 4.0749 8.6708 119.9125 59.4335 29.2466 179.6830 31 G 2.5183 8.2641 106.0234 47.4480 0.0000 175.3536 32 D 4.4570 8.1856 121.2735 57.1886 40.5953 179.1507 33 K 3.9221 7.6266 117.5587 59.5642 32.0849 178.7816 34 Y 3.8072 7.5948 115.9823 60.9756 37.8185 178.1245 35 F 4.4804 7.5765 118.1430 59.6016 39.1538 176.3858 36 G 4.3246 8.4054 110.5403 45.6177 0.0000 174.5207 37 I 4.3132 7.5722 110.3058 60.1212 38.8564 175.1762 38 L 4.9997 7.5260 119.8658 52.3001 45.3849 176.7056 39 T 4.3988 8.6606 111.6412 61.4809 70.7540 175.8583 40 S 4.2918 9.4907 119.1720 62.2535 62.9451 177.2984 41 R 4.1412 7.9156 119.2152 59.2019 30.2543 178.5324 42 Q 4.2114 8.3159 118.0323 59.0644 28.6785 178.5098 43 Y 3.6291 7.8125 116.2815 59.1739 38.5498 177.5325 *45 T 4.3064 7.7802 116.5524 63.5899 70.7449 176.3541 46 I 3.6688 7.7155 121.9686 64.0628 36.9921 178.1928 47 L 3.8235 7.7342 121.2485 58.3713 41.6938 179.0853 48 S 4.1404 8.1946 113.1946 61.8694 63.1115 176.4549 49 I 3.8819 7.7511 122.1943 64.3327 36.6477 178.5055 50 L 4.0381 7.9606 118.9478 57.7073 41.5044 178.4659 51 H 4.4192 8.2341 113.8627 55.7093 29.2527 175.1289 52 L 4.6537 6.8066 120.8152 52.0564 43.5590 174.7479 53 P 4.3619 0.0000 0.0000 62.2831 32.3466 176.9092 54 E 3.9043 9.1509 123.3565 59.8160 29.1504 179.3997 55 E 4.3206 8.1347 116.5027 58.1449 29.5651 177.7306 56 E 4.5719 8.0051 118.0156 55.9574 31.1462 177.3943 57 T 4.3609 7.6228 112.0033 60.2402 66.4889 173.8737 58 T 4.6648 6.7289 111.7004 60.4017 71.3339 176.3039 59 L 3.9585 8.4610 121.9416 57.9264 41.4867 179.3378 60 N 4.2868 8.0743 116.3515 56.9025 39.0750 176.5614 61 N 4.3346 7.9892 117.3720 56.3063 38.3718 177.5475 62 I 3.6729 7.8130 120.2407 64.1949 37.5167 177.8769 63 A 4.1872 8.3007 121.9301 55.3675 17.9938 179.8974 64 R 3.9843 7.9446 115.2321 59.1469 30.1840 180.0508 65 K 4.0198 7.6081 115.1996 56.9473 32.0730 177.0513 *67 G 4.0289 7.8269 103.9059 44.8475 0.0000 172.4828 68 T 4.7318 7.8993 114.1946 59.1865 70.8022 173.5794 69 S 4.5707 8.3047 116.3201 57.5084 65.4643 174.7286 70 K 3.8663 8.7348 123.0693 60.1525 31.7601 179.4807 71 Q 3.9901 8.0152 117.4251 59.1508 28.7605 178.3899 72 N 4.3927 8.1201 117.3137 56.4370 38.5253 177.6187 73 I 3.8105 7.7215 120.9987 64.0120 37.1533 177.8840 74 N 4.2911 8.4240 118.2843 56.7302 38.8031 177.1394 75 R 3.8800 7.9555 119.2514 59.3311 30.2528 178.8387 76 L 3.9905 7.9968 118.7428 58.1047 41.6033 179.9853 77 V 3.6343 8.3563 118.1629 65.8151 31.4430 177.9177 78 A 3.9765 8.0527 120.7213 55.0177 18.1145 179.1352 79 N 4.2176 8.1651 115.5370 56.8911 39.0311 177.1424 80 L 4.1146 8.0506 120.3944 57.7755 41.7043 179.1742 81 E 4.2397 8.6876 121.0048 58.6143 29.3866 179.0284 82 K 3.9999 7.7941 117.8887 59.8424 32.7508 178.2924 83 N 4.3264 7.6388 115.1793 53.3164 38.4492 175.7728 84 G 3.8040 7.5361 108.4617 46.2711 0.0000 174.1430 85 Y 4.7850 7.8853 119.6031 59.2727 39.2458 175.9357 86 V 4.9985 7.7390 110.7115 59.6583 36.7056 173.9878 87 D 5.0118 9.2817 122.4956 52.5779 43.7150 175.4623 88 V 4.8153 8.5727 122.6632 61.1847 33.3687 174.5585 89 I 4.6592 8.3920 120.9967 58.0595 41.0232 173.2065 90 P 4.6706 0.0000 0.0000 62.3808 31.9155 176.5329 91 S 4.3661 8.4651 119.0125 57.8174 62.3846 172.7800 92 P 4.3949 0.0000 0.0000 65.0648 31.7419 176.9214 93 H 4.5890 7.7387 116.0098 57.1351 29.4046 175.2498 94 D 4.7060 7.8307 120.6014 52.8241 43.7622 176.6964 95 K 4.0961 8.9038 130.4285 57.8699 32.0798 175.8062 96 R 4.0852 8.2245 114.7509 58.2292 29.7632 180.5596 97 A 4.9228 7.6579 118.1487 51.0167 21.9506 175.5845 98 I 4.8892 8.1129 111.5219 59.3234 40.9718 174.0821 99 N 5.4208 8.8914 118.7314 50.3706 42.5883 173.8227 100 V 4.8039 8.8698 121.5239 61.1968 33.9618 174.7952 101 K 4.6561 8.9658 127.7439 54.5660 34.7030 175.6778 102 V 4.4087 8.2942 124.7177 62.7063 32.4405 175.9343 103 T 4.3032 8.5089 118.3287 60.9708 70.4765 175.3340 104 D 4.3550 8.8809 121.0264 57.5826 40.6135 179.0140 105 L 4.0902 8.0083 120.2384 58.0245 41.9980 178.9170 106 G 3.6031 7.9466 104.4770 47.9524 0.0000 175.4137 107 K 4.0822 8.0402 120.1514 58.7014 32.1997 179.0498 108 K 4.1015 8.1968 119.9843 59.4228 32.0741 180.7021 109 V 3.8397 7.7121 117.1949 63.0456 31.2990 177.8149 *111 V 4.0143 7.7793 117.9043 62.8423 33.3047 177.5210 112 T 3.8959 7.7902 116.0160 67.0451 68.2837 176.6680 113 C 4.3645 8.4286 118.8465 62.8819 28.1855 176.4472 114 S 4.3282 8.2093 116.5079 61.4312 62.6585 176.3456 115 R 3.9248 7.8934 121.0210 59.9938 29.9215 178.6457 116 T 4.1507 7.9013 115.3570 66.6668 68.1900 176.6183 117 G 3.8052 8.4495 107.2115 48.0592 0.0000 175.4086 118 I 3.9764 7.4807 120.6974 64.3709 37.4267 177.9991 119 N 4.6832 8.0080 116.2617 56.0107 38.2178 177.5349 120 F 3.5841 8.1801 118.6928 58.6680 37.4736 176.4733 *122 A 3.9877 7.9185 121.2875 51.8548 20.1120 179.7251 123 D 4.3782 7.9939 115.4885 57.4827 41.1481 179.1251 124 V 3.1805 7.4849 117.8461 65.1291 31.5616 176.5991 125 F 4.8863 7.3062 115.3371 57.2532 39.1208 177.0702 126 H 4.2508 7.8833 118.6847 58.3094 28.2269 176.2788 127 E 4.1763 7.9182 117.4207 57.0339 29.9074 176.1964 128 F 4.5520 8.1868 119.0235 56.5999 40.1151 176.4866 129 T 4.2561 8.9732 116.5807 60.9713 70.8482 175.6702 130 K 3.8752 8.5720 122.0945 59.7219 32.1441 178.0182 131 D 4.3844 8.1783 117.6835 57.7606 41.0482 178.2057 132 E 4.0988 8.3683 118.7443 59.2039 29.2975 179.4608 133 L 3.9889 8.0823 119.1423 57.8362 41.6538 179.2581 134 E 4.2034 8.3452 118.5279 59.7304 29.4061 179.5909 135 T 3.8824 8.1531 115.7084 66.5148 68.5210 176.3062 136 L 4.0565 8.3256 122.4747 58.0199 42.0855 178.7317 137 W 4.3826 8.5157 128.3877 60.6916 30.6612 177.6827 138 S 3.8612 8.3067 113.0741 61.5338 61.5695 176.2374 139 L 4.1125 7.9368 120.3890 57.5582 41.4174 179.1693 140 L 4.2653 8.1033 118.5849 57.7314 41.6795 179.1404 141 K 4.2076 8.1472 117.6331 59.2361 31.7236 179.8647 142 K 4.1279 7.9506 117.7606 57.0614 31.7844 177.8047 *144 Y 4.5650 7.8521 120.3173 56.8861 40.4170 175.5390 145 R 5.0499 8.0952 113.7401 55.2076 29.7601 178.0723 146 F 4.1733 8.5523 116.4300 59.9993 37.6176 175.4598 147 N 4.3165 7.0989 115.7668 52.1227 37.2318 175.6160 148 G 3.9179 8.3201 108.3793 45.2066 0.0000 173.4571 149 E 4.6072 7.9658 120.2229 54.5487 31.2929 175.3313 150 E 4.9117 8.4931 122.9446 54.4656 31.5469 175.7575 151 Q 3.3703 8.3057 121.6605 56.1950 29.5018 175.9320 152 D 4.7364 8.1012 123.2858 52.2608 41.3478 176.9930 153 G 4.1044 7.9898 117.1665 44.6721 0.0000 169.9435 154 F 4.5008 8.4976 118.5524 55.6067 42.6473 174.5750 *164 E 4.3220 8.5264 121.2642 54.9043 31.3517 174.5718 165 E 4.7322 7.9302 121.6132 57.2655 35.9276 177.2739 166 I 3.7202 7.6682 122.2040 65.4528 37.2878 178.8764 167 D 4.4870 7.9754 117.0157 55.8047 39.8468 179.8639 168 K 4.1717 7.4729 115.0024 59.0221 32.3180 177.4448 169 I 3.9424 7.3985 120.1000 60.7047 37.2308 176.0561 170 K 4.4143 8.4040 125.1779 55.4362 33.3428 178.2160 171 S 4.1796 8.5181 116.2879 61.3911 62.9016 176.4190 172 E 4.1216 8.2565 120.8167 59.1674 29.2118 178.9095 173 A 4.0046 7.7928 121.6949 55.1468 18.4546 179.6781 174 L 4.0480 7.8752 117.0173 57.6997 41.8441 179.4114 175 E 3.9972 8.4419 118.8261 59.4224 29.4003 178.9958 176 E 3.9470 8.4877 119.5069 59.1035 29.6635 178.2431 177 F 4.0565 8.6972 121.0162 61.5087 39.4079 176.9770 178 A 3.9368 8.3883 120.0746 55.1776 18.2621 179.8189 179 K 3.9132 7.9812 116.7027 59.6317 31.9155 179.9248 180 R 3.9698 8.0671 117.6175 59.1741 30.0636 178.7466 181 R 3.8831 7.6315 117.4161 59.1054 30.1704 177.5190 182 N 4.5889 7.9009 112.8068 52.2875 39.4804 174.9558 183 R 3.7580 7.5245 117.4366 56.9304 28.5772 177.9105 184 V 3.6692 7.9020 111.4207 64.2633 32.0325 177.2399 185 N 4.0823 8.2838 120.1425 54.3852 38.7726 175.3239 186 K 4.2189 8.4930 127.2611 53.8823 30.4962 172.3859 187 N 4.3845 8.5274 122.4749 52.9296 39.1782 175.2713 188 D 4.5033 8.5829 120.1327 53.6960 39.6693 176.0943 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 Y 8.23 4.93 0.00 3.07 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 4 S 8.12 3.98 0.00 4.13 4.14 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 5 N 8.98 4.31 0.00 2.89 2.94 0.00 0.00 7.15 7.66 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 6 E 8.21 4.00 0.00 2.38 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 0.00 2.54 2.54 0.00 7 L 8.20 4.14 0.00 1.85 1.75 0.96 1.26 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 8 K 8.41 4.09 0.00 1.92 1.91 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 9 E 8.30 4.02 0.00 2.10 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 2.38 2.51 0.00 10 L 8.05 4.09 0.00 1.71 1.97 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.52 4.36 0.00 3.16 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 12 L 7.80 4.02 0.00 2.14 1.85 0.98 0.62 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 *14 N 8.10 4.64 0.00 2.85 2.82 0.00 0.00 7.04 7.74 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 15 Q 7.85 3.87 0.00 1.72 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 1.21 1.58 0.00 16 T 7.94 3.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 17 Y 7.97 3.97 0.00 3.01 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 A 8.45 3.98 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 19 T 8.11 3.86 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 1.22 0.00 0.00 20 L 8.04 3.91 0.00 1.84 1.74 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.03 3.96 0.00 2.73 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 22 T 8.18 3.91 4.27 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 1.44 0.00 0.00 23 L 8.22 3.91 0.00 1.81 1.94 0.88 0.88 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 24 T 7.88 3.89 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 25 N 7.80 4.12 0.00 2.82 2.79 0.00 0.00 6.60 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 26 K 8.01 3.90 0.00 1.81 1.91 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 27 I 8.14 3.86 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.54 0.91 0.00 0.00 28 Q 8.29 3.94 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 29 I 7.65 3.67 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.13 0.90 0.00 0.00 30 E 8.67 4.07 0.00 2.05 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 0.00 2.51 2.54 0.00 31 G 8.26 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 32 D 8.19 4.46 0.00 2.85 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 33 K 7.63 3.92 0.00 1.83 1.76 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.66 7.81 34 Y 7.59 3.81 0.00 2.01 2.46 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 35 F 7.58 4.48 0.00 3.03 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 36 G 8.41 4.32 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 0.00 37 I 7.57 4.31 1.91 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 1.44 0.71 0.94 0.00 0.00 38 L 7.53 5.00 0.00 1.47 1.48 0.72 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.66 4.40 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 1.30 0.00 0.00 40 S 9.49 4.29 0.00 3.91 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 41 R 7.92 4.14 0.00 1.82 2.03 0.00 3.24 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 42 Q 8.32 4.21 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 43 Y 7.81 3.63 0.00 2.44 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 *45 T 7.78 4.31 4.37 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 1.23 0.00 0.00 46 I 7.72 3.67 1.63 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.78 0.00 0.00 47 L 7.73 3.82 0.00 1.44 1.59 0.90 0.77 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 48 S 8.19 4.14 0.00 4.08 3.91 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 49 I 7.75 3.88 2.00 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 1.52 1.18 0.90 0.00 0.00 50 L 7.96 4.04 0.00 1.74 1.67 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.23 4.42 0.00 3.13 3.23 0.00 5.83 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 6.81 4.65 0.00 1.64 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0.00 0.00 130 K 8.57 3.88 0.00 1.96 1.88 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.08 7.81 131 D 8.18 4.38 0.00 2.85 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 E 8.37 4.10 0.00 2.35 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 0.00 2.30 2.35 0.00 133 L 8.08 3.99 0.00 1.90 1.55 0.69 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.35 4.20 0.00 2.24 2.07 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 2.52 2.48 0.00 135 T 8.15 3.88 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 1.26 0.00 0.00 136 L 8.33 4.06 0.00 2.05 1.95 1.06 1.24 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 0.00 137 W 8.52 4.38 0.00 3.39 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 3.86 0.00 3.89 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 0.00 139 L 7.94 4.11 0.00 1.74 1.77 0.97 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 0.00 140 L 8.10 4.27 0.00 1.94 1.89 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.15 4.21 0.00 1.76 1.82 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.59 1.50 7.81 142 K 7.95 4.13 0.00 1.87 1.98 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.49 7.81 *144 Y 7.85 4.57 0.00 3.24 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 0.00 145 R 8.10 5.05 0.00 2.11 2.25 0.00 3.15 0.00 0.00 3.35 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 146 F 8.55 4.17 0.00 3.17 3.25 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 0.00 147 N 7.10 4.32 0.00 2.42 1.65 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.32 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 0.00 0.00 0.00 149 E 7.97 4.61 0.00 2.13 1.88 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 2.23 2.11 0.00 150 E 8.49 4.91 0.00 1.98 1.89 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 2.29 2.31 0.00 151 Q 8.31 3.37 0.00 1.28 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.11 0.00 0.00 0.00 0.00 0.00 1.97 1.38 0.00 152 D 8.10 4.74 0.00 2.60 2.47 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 0.00 153 G 7.99 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 0.00 154 F 8.50 4.50 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 *164 E 8.53 4.32 0.00 1.94 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 2.18 2.24 0.00 165 E 7.93 4.73 0.00 2.00 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 2.19 2.29 0.00 166 I 7.67 3.72 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.90 0.00 0.00 167 D 7.98 4.49 0.00 2.69 2.59 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 0.00 168 K 7.47 4.17 0.00 1.79 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.54 7.81 169 I 7.40 3.94 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.45 0.87 0.00 0.00 170 K 8.40 4.41 0.00 1.82 1.72 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.42 7.81 171 S 8.52 4.18 0.00 4.05 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 0.00 172 E 8.26 4.12 0.00 2.28 2.27 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 2.38 2.45 0.00 173 A 7.79 4.00 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 0.00 174 L 7.88 4.05 0.00 1.84 1.74 0.89 0.77 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 0.00 175 E 8.44 4.00 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 176 E 8.49 3.95 0.00 2.06 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 2.43 2.35 0.00 177 F 8.70 4.06 0.00 3.14 3.29 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 0.00 178 A 8.39 3.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 3.91 0.00 1.97 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 180 R 8.07 3.97 0.00 1.66 2.09 0.00 3.43 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 181 R 7.63 3.88 0.00 1.20 1.65 0.00 3.03 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 182 N 7.90 4.59 0.00 2.85 2.82 0.00 0.00 7.27 7.67 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 0.00 183 R 7.52 3.76 0.00 1.95 1.94 0.00 3.28 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 184 V 7.90 3.67 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 0.66 0.00 0.00 0.98 0.00 0.00 185 N 8.28 4.08 0.00 2.65 2.75 0.00 0.00 6.85 6.68 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 0.00 186 K 8.49 4.22 0.00 1.82 1.64 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.03 7.81 187 N 8.53 4.38 0.00 2.67 2.80 0.00 0.00 7.20 8.06 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 0.00 188 D 8.58 4.50 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.