NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9748 8.2133 109.7597 45.1951 0.0000 175.6694 *2 D 4.5456 9.0449 120.2318 54.4206 43.7530 177.2877 3 Y 4.0401 8.1028 118.8867 60.8693 38.7633 177.6079 4 N 4.7347 8.5838 118.9342 55.9162 38.5591 177.2055 5 Q 3.9857 8.1101 120.7799 59.1168 29.2289 178.0153 6 T 3.7539 7.8185 111.0398 64.7164 68.5714 176.6240 7 V 3.5167 7.4571 121.0501 65.5400 31.5925 177.6203 8 L 3.1393 7.8683 120.3939 58.1341 41.7575 179.1479 9 S 4.0291 8.1864 115.2969 61.6473 62.8382 176.1246 10 H 4.0081 8.1065 120.8921 59.3082 29.5209 177.4032 11 L 3.8677 7.8590 120.8669 57.7546 41.5642 179.2996 12 Q 3.9171 8.3741 120.0408 58.8932 28.7129 178.1619 13 K 3.8556 7.8846 120.1576 59.2670 32.2790 178.3801 14 F 3.9037 7.6760 119.6348 59.6295 40.8700 176.4361 15 W 4.5112 7.8820 119.8711 54.5756 26.0216 176.3761 16 K 4.3158 7.7192 121.1649 58.4375 32.3017 176.9136 17 H 4.8969 8.0404 113.5582 55.5524 29.1707 173.4213 18 H 4.8462 7.8546 115.9589 53.7699 31.4311 173.7311 19 D 4.6386 8.2526 122.1783 54.3266 42.2341 175.3213 20 I 4.9399 8.1223 121.9716 59.4396 40.6297 174.4737 21 K 4.4792 9.1823 128.6080 54.5761 34.4370 174.9538 22 G 4.4252 8.4602 113.4400 44.5465 0.0000 172.5436 23 F 5.0499 8.6945 121.1443 55.5552 42.7383 174.3114 24 T 5.0090 8.1684 110.4517 60.0656 72.3841 172.7491 25 W 4.8317 9.1579 121.0044 55.2344 31.8808 175.8508 26 T 4.6416 8.6670 110.4605 61.3457 69.6524 173.7612 27 L 4.6097 8.1902 122.9508 54.3381 45.4875 173.7722 28 G 3.9881 9.0741 109.7096 43.3077 0.0000 174.7497 29 R 3.8650 8.6743 115.1546 59.2222 29.6624 178.9999 30 I 3.3691 7.5585 118.9673 64.0658 37.2566 178.2304 31 V 3.6477 7.6433 120.7013 66.3599 31.5493 177.4672 32 E 4.2541 8.0731 114.1882 57.9764 30.1594 179.2017 33 E 4.1898 8.0117 117.8400 58.1388 30.5948 177.1811 34 L 4.5085 8.0362 120.2071 52.5227 43.1405 172.2674 35 P 4.4110 0.0000 0.0000 64.1066 31.8718 176.6951 36 D 4.7263 9.0932 119.7856 54.2974 38.5047 173.5040 37 F 4.6591 8.0375 121.8537 59.1424 39.9530 174.3118 38 Q 5.0969 8.5100 123.1652 52.9140 33.2442 174.1920 39 V 4.8504 8.1711 119.5358 61.2425 34.8836 173.9746 40 F 5.4698 9.2907 126.1156 55.8442 41.8640 174.2889 41 Q 4.7470 9.3824 124.7607 54.2927 31.5390 174.3791 42 V 4.0052 8.5948 128.2644 61.9389 32.5806 174.6983 43 I 4.0735 8.0743 130.1466 59.0549 37.9456 174.6086 44 P 4.2094 0.0000 0.0000 62.8263 31.6763 176.1813 45 N 4.3241 8.6654 116.8670 55.2287 39.3657 174.5930 46 H 4.9106 7.5897 116.0479 54.5624 33.0230 174.6134 47 E 4.1762 8.8178 116.4691 58.4817 29.6331 177.0291 48 D 4.8990 8.0917 114.7437 53.5779 39.8389 175.6708 49 E 4.7155 7.7822 118.9139 54.1939 31.7809 174.1140 50 P 4.9215 0.0000 0.0000 62.1230 33.7389 174.6140 51 W 4.7996 9.4744 119.6662 55.1449 31.4442 175.8492 52 V 5.0215 8.1723 123.3043 61.3450 33.8887 173.5903 53 Y 5.2765 9.4560 125.7002 56.2909 40.6222 174.8100 54 V 5.3412 9.2305 124.7136 60.9757 34.7312 175.2000 55 S 4.8980 9.4408 123.0045 58.7618 64.3556 174.1888 56 S 4.6404 8.7663 116.4073 59.8431 64.1797 173.2825 57 G 3.9077 10.0625 124.8259 46.3546 0.0000 174.7333 58 I 3.9600 8.2551 122.3272 64.2197 37.0938 178.3640 59 G 3.6243 8.4347 107.1360 46.7629 0.0000 175.5186 60 Q 3.6342 7.2218 118.9788 57.8083 28.5545 177.4768 61 F 4.5317 7.9610 116.8688 58.0220 40.7721 176.5922 62 L 4.5039 8.3383 118.3153 54.5403 42.9078 177.4103 63 G 3.9294 9.3203 106.8845 44.9606 0.0000 172.3185 64 Q 4.4474 7.1844 115.3219 54.6389 31.6286 173.4215 65 E 4.4806 7.9745 119.8885 54.5410 33.3254 174.6732 66 F 5.5929 9.2049 118.4664 55.9974 43.3829 174.4644 67 F 5.8130 9.0521 115.4199 55.5312 41.9585 173.2345 68 I 4.9864 9.3734 120.9200 59.7837 40.2593 174.5306 69 I 5.1178 9.0614 127.5316 60.1171 38.5525 174.8685 70 S 5.1641 9.7339 122.9302 55.7215 64.5766 173.4159 71 P 4.5519 0.0000 0.0000 65.0214 31.5108 175.8818 72 F 5.0212 6.8921 111.8445 54.5662 40.8746 173.4527 73 E 3.3132 7.5822 122.4775 56.1149 29.7941 176.0659 74 T 4.3536 8.2774 118.3910 59.3652 70.9849 172.1649 75 P 4.2723 0.0000 0.0000 64.2485 31.3773 177.9770 76 E 4.3780 7.8325 120.9798 59.5599 29.3818 178.9172 77 H 4.3413 7.3964 115.7166 58.4817 28.6384 177.9768 78 I 3.9054 7.4347 121.4613 64.4097 36.9683 178.0735 79 E 4.1535 8.2598 119.4142 59.7858 29.0958 179.5388 80 T 3.9849 8.0155 114.6807 66.8360 68.8074 176.4758 81 L 4.3763 8.3869 120.6293 57.4373 41.6884 179.8534 82 A 3.8241 8.1000 118.5619 52.5261 18.0789 179.1189 *84 L 4.0648 7.9941 122.7783 56.2552 43.9102 179.3473 85 A 3.5639 7.8450 119.8309 54.9563 18.1499 179.2193 86 S 3.8639 7.2385 109.5948 61.4871 62.6816 175.9046 87 A 4.3117 7.7317 123.0932 54.8459 18.0680 179.6460 88 S 3.9457 7.3597 112.5564 58.8246 63.4103 175.3094 *90 H 4.4885 8.1890 120.9191 56.5978 31.1019 173.6706 91 Y 5.0042 7.9606 115.7164 55.8630 38.4964 174.6345 92 P 4.5099 0.0000 0.0000 66.0258 31.9931 178.9973 93 D 4.4795 8.2509 117.4735 56.9115 40.8026 176.9052 94 Q 4.2482 8.2483 116.1362 56.2809 29.3717 175.8362 95 F 4.6653 8.1159 116.8112 57.2086 39.5551 174.6391 96 Q 4.9789 7.5298 118.7679 53.3809 32.3493 175.6829 97 L 3.8338 8.3319 119.2009 56.9095 41.8417 178.3613 98 G 3.9138 8.7618 111.1660 45.1352 0.0000 173.7006 99 K 4.4116 7.7966 119.7068 56.0088 33.6601 176.1651 100 T 4.8382 8.1914 112.5675 60.4794 71.1626 173.9994 101 V 4.1467 8.6163 123.6283 61.0368 34.1455 173.9041 102 N 4.7154 8.7026 127.4800 53.0976 38.6336 174.8591 103 I 3.7591 8.4821 128.7831 62.2999 37.6875 177.8968 104 G 3.8537 9.5123 109.3065 44.7731 0.0000 172.6872 105 R 4.3444 7.0050 114.2524 54.6250 31.3601 172.0063 106 P 4.6501 0.0000 0.0000 62.1643 31.8580 177.0397 107 W 4.3988 9.2933 119.8960 58.8958 28.4919 177.0269 108 V 4.4017 6.6166 110.3211 58.5707 34.8334 175.5787 109 E 3.8294 8.8752 124.6773 59.7325 29.2719 178.5461 110 Q 4.1846 7.7911 113.2687 56.4587 29.3090 175.9902 111 S 4.2615 7.7264 113.2842 57.6731 63.0844 173.7991 112 S 4.5354 7.8432 117.1552 58.2911 63.7507 174.0822 113 F 4.8265 7.8408 122.3122 57.7024 39.1810 175.7756 114 R 4.9351 8.6746 122.4219 55.2057 32.0483 174.7194 115 H 5.2283 7.9164 115.7112 53.9955 33.4815 172.1514 116 F 5.3787 8.7574 119.0859 55.7545 42.4021 174.2515 117 L 4.8869 8.5711 124.5528 53.3751 43.9099 175.4943 118 I 4.2146 8.6136 128.4276 61.6371 37.9678 175.4293 119 S 5.0158 8.9739 123.0503 56.0549 67.1222 173.9867 120 L 4.2956 8.2262 121.4008 53.7097 42.2073 176.2480 121 P 4.7399 0.0000 0.0000 61.4830 30.0233 176.3018 122 Y 4.2645 7.5568 120.3978 61.4985 38.5420 177.7752 123 P 3.8067 0.0000 0.0000 64.3701 31.5280 176.5084 124 Y 4.7564 7.2286 114.0507 57.0074 40.3848 176.5422 125 G 3.8892 8.3148 107.1689 44.7343 0.0000 173.4048 126 Q 4.2371 8.5014 117.4778 59.0489 28.6583 178.0432 127 E 3.9608 8.1322 119.4628 58.8092 29.7311 177.8992 128 L 3.4130 7.1497 119.1282 57.1097 42.4210 177.4889 129 E 4.1773 7.9460 119.3743 58.2714 29.4601 176.1404 130 Y 4.8724 7.2094 112.7439 55.8226 40.9130 174.5571 *132 D 4.2542 8.3108 119.2196 55.5351 41.5722 175.2962 133 N 4.6012 9.5229 122.7719 53.3937 36.7962 174.2903 134 V 4.5960 7.3770 116.6617 61.2452 34.8045 174.2641 135 R 4.6045 8.2889 125.3583 54.4286 33.5362 175.0369 136 F 4.7286 8.7168 119.8727 56.0014 41.0147 175.0193 137 F 5.3937 8.6569 123.3275 55.6282 41.8060 174.8417 138 W 3.9821 9.0617 132.7639 56.1223 32.0456 175.4569 139 L 4.1761 8.5149 128.7445 53.6913 40.7469 175.2440 140 L 3.4722 7.7583 126.7271 52.5101 43.1127 173.9657 141 P 4.7385 0.0000 0.0000 62.5224 31.6857 175.8301 142 I 4.4832 8.0239 117.2527 58.8037 40.7867 175.4454 143 T 3.9707 8.5520 114.1113 61.0156 69.8377 175.8051 144 Q 4.0419 8.6901 120.9605 59.2451 28.6074 179.0629 145 T 3.9691 7.8717 110.4785 64.5822 68.7718 176.4911 146 E 3.8390 8.0103 120.8110 59.1132 29.8875 178.8470 147 R 3.9359 8.0317 118.7134 59.3691 30.1028 178.2588 148 L 3.8940 7.8512 120.0459 58.1631 42.1417 178.3786 149 F 4.1759 8.3903 120.6108 61.6210 38.9753 176.7802 150 L 4.3130 7.6256 115.8233 56.5734 41.5006 178.5512 151 N 4.5355 8.0358 116.7850 55.3449 38.4231 175.6779 152 T 4.5037 7.3543 107.2984 60.9831 69.7451 172.9157 153 H 4.6379 7.4267 117.0766 53.5072 33.0514 173.6749 154 S 4.4314 8.5524 116.6912 57.7160 65.1824 175.5302 155 V 3.5422 8.2058 121.9262 66.3213 31.1924 177.9457 156 E 3.9546 8.1790 117.6919 59.5856 29.3461 179.0895 157 E 3.9593 8.3020 118.4386 59.2966 29.4572 179.2041 158 L 3.5763 7.8646 120.0916 58.1143 42.0534 178.9167 159 E 3.7657 8.3388 118.8484 59.4047 29.3078 179.4788 160 T 3.8176 7.9840 116.0382 66.6149 68.5320 176.6882 161 K 3.9207 7.7889 120.2395 59.3762 32.0851 179.4439 162 F 4.4879 8.0622 118.1758 60.8306 38.6666 177.2942 163 D 4.4331 8.1504 117.2147 57.7032 40.7202 178.6559 164 E 4.1142 8.1790 117.5335 59.1965 29.5271 178.8692 165 A 4.2049 8.1567 120.0138 52.2442 19.3430 177.1566 166 G 3.7950 7.9327 104.7798 45.8417 0.0000 174.4833 167 I 3.5549 7.7792 110.7500 61.2689 38.2269 175.7332 168 D 4.4916 8.4910 123.6390 52.8772 40.0076 176.0986 169 Y 4.4149 7.9170 124.2483 58.5222 38.4248 176.8135 170 L 4.5389 7.8080 119.7591 55.3549 41.9241 175.9262 171 D 4.8217 8.2142 120.6887 52.5735 41.0088 176.9239 172 I 4.2085 8.6305 121.0649 62.9664 37.7597 175.9256 173 N 4.9843 8.5296 119.9264 52.8386 39.3802 174.3379 174 R 4.3590 8.3869 111.1876 54.7684 29.9922 176.2433 175 A 4.2467 8.3667 122.2531 52.0207 19.0825 178.0038 176 S 4.4148 8.5645 117.2745 59.2017 63.4020 174.7667 177 T 4.4218 8.7472 112.3471 61.8258 69.2937 174.9588 178 V 4.4651 7.1896 114.1241 59.5392 35.6273 174.3441 179 W 5.0982 8.4708 130.2726 55.8330 33.6405 174.2970 180 Q 3.9190 7.2604 122.8568 53.2183 31.6129 175.2676 181 A 4.1608 7.5810 122.5741 52.4577 18.3912 177.4608 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 0 G 8.21 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 D 9.04 4.55 0.00 2.81 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 3 Y 8.10 4.04 0.00 3.11 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.58 4.73 0.00 2.92 3.23 0.00 0.00 6.20 8.14 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 5 Q 8.11 3.99 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 6 T 7.82 3.75 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 7 V 7.46 3.52 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 1.35 0.00 0.00 0.69 0.00 0.00 8 L 7.87 3.14 0.00 0.99 1.52 0.39 0.83 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 9 S 8.19 4.03 0.00 4.00 3.82 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 10 H 8.11 4.01 0.00 3.21 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.86 3.87 0.00 1.71 1.81 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.37 3.92 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 13 K 7.88 3.86 0.00 1.78 1.92 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.37 7.81 14 F 7.68 3.90 0.00 2.49 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 15 W 7.88 4.51 0.00 3.41 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 16 K 7.72 4.32 0.00 1.80 1.62 0.00 1.68 0.00 0.00 2.36 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.00 7.81 17 H 8.04 4.90 0.00 3.15 3.21 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.85 4.85 0.00 3.02 3.01 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.25 4.64 0.00 2.52 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 20 I 8.12 4.94 1.78 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 1.10 0.53 0.93 0.00 0.00 21 K 9.18 4.48 0.00 1.75 1.71 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.30 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.41 1.03 7.81 22 G 8.46 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 23 F 8.69 5.05 0.00 2.84 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 24 T 8.17 5.01 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 1.21 0.00 0.00 25 W 9.16 4.83 0.00 3.42 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.67 4.64 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 27 L 8.19 4.61 0.00 1.62 1.62 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 G 9.07 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 0.00 0.00 0.00 29 R 8.67 3.87 0.00 2.08 2.13 0.00 2.82 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 30 I 7.56 3.37 1.49 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.36 0.97 0.00 0.00 31 V 7.64 3.65 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 0.75 0.00 0.00 1.03 0.00 0.00 32 E 8.07 4.25 0.00 2.03 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 2.20 1.89 0.00 33 E 8.01 4.19 0.00 1.86 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 2.23 0.00 34 L 8.04 4.51 0.00 1.35 1.23 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.41 0.00 2.13 2.03 0.00 3.81 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 36 D 9.09 4.73 0.00 3.02 2.95 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 37 F 8.04 4.66 0.00 3.08 2.89 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 38 Q 8.51 5.10 0.00 1.49 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 39 V 8.17 4.85 2.30 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 1.48 0.00 0.00 1.27 0.00 0.00 40 F 9.29 5.47 0.00 3.08 2.88 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 41 Q 9.38 4.75 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.27 1.74 0.00 42 V 8.59 4.01 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 -0.05 0.00 0.00 0.32 0.00 0.00 43 I 8.07 4.07 1.81 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 1.42 0.81 0.60 0.00 0.00 44 P 0.00 4.21 0.00 2.00 1.87 0.00 2.20 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.44 0.00 45 N 8.67 4.32 0.00 2.64 2.53 0.00 0.00 6.74 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0.00 3.15 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 0.00 123 P 0.00 3.81 0.00 0.49 1.53 0.00 2.60 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.15 0.00 124 Y 7.23 4.76 0.00 2.58 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 0.00 125 G 8.31 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 0.00 126 Q 8.50 4.24 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 127 E 8.13 3.96 0.00 2.05 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 0.00 2.33 2.38 0.00 128 L 7.15 3.41 0.00 0.27 1.12 -0.10 0.08 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 0.00 129 E 7.95 4.18 0.00 2.28 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 0.00 2.19 2.48 0.00 130 Y 7.21 4.87 0.00 2.95 2.84 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 *132 D 8.31 4.25 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 9.52 4.60 0.00 2.97 3.01 0.00 0.00 6.85 7.68 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 0.00 134 V 7.38 4.60 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 0.46 0.00 0.00 0.99 0.00 0.00 135 R 8.29 4.60 0.00 0.96 1.13 0.00 2.93 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 136 F 8.72 4.73 0.00 2.97 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.66 5.39 0.00 2.82 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 0.00 138 W 9.06 3.98 0.00 2.93 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 0.00 139 L 8.51 4.18 0.00 0.95 0.13 0.69 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.76 3.47 0.00 0.27 1.01 0.20 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.74 0.00 1.39 0.84 0.00 3.28 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 0.50 0.72 0.00 142 I 8.02 4.48 1.95 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 1.33 0.57 0.90 0.00 0.00 143 T 8.55 3.97 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 0.76 0.00 0.00 144 Q 8.69 4.04 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.95 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 145 T 7.87 3.97 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 146 E 8.01 3.84 0.00 2.14 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 2.21 2.24 0.00 147 R 8.03 3.94 0.00 1.66 1.95 0.00 3.01 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.51 0.00 148 L 7.85 3.89 0.00 1.78 1.78 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.39 4.18 0.00 3.04 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 0.00 150 L 7.63 4.31 0.00 1.85 1.66 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.04 4.54 0.00 2.78 2.80 0.00 0.00 6.71 7.12 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 0.00 152 T 7.35 4.50 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 1.08 0.00 0.00 153 H 7.43 4.64 0.00 2.15 2.94 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.55 4.43 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 8.21 3.54 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 1.11 0.00 0.00 0.93 0.00 0.00 156 E 8.18 3.95 0.00 2.13 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 2.40 1.98 0.00 157 E 8.30 3.96 0.00 2.29 2.14 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 2.37 2.33 0.00 158 L 7.86 3.58 0.00 1.77 1.55 0.29 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.34 3.77 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 160 T 7.98 3.82 4.39 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 1.22 0.00 0.00 161 K 7.79 3.92 0.00 1.78 1.71 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.36 7.81 162 F 8.06 4.49 0.00 3.14 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 0.00 163 D 8.15 4.43 0.00 2.80 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 0.00 164 E 8.18 4.11 0.00 2.08 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 2.35 2.44 0.00 165 A 8.16 4.20 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 0.00 166 G 7.93 3.79 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 0.00 0.00 0.00 167 I 7.78 3.55 1.75 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.87 0.00 0.00 168 D 8.49 4.49 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 7.92 4.41 0.00 3.22 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 0.00 170 L 7.81 4.54 0.00 1.84 1.91 1.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.21 4.82 0.00 3.02 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 I 8.63 4.21 1.86 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 1.39 0.72 0.97 0.00 0.00 173 N 8.53 4.98 0.00 2.63 2.82 0.00 0.00 7.16 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 0.00 174 R 8.39 4.36 0.00 2.08 2.08 0.00 3.09 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.62 0.00 175 A 8.37 4.25 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 0.00 176 S 8.56 4.41 0.00 3.93 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 0.00 177 T 8.75 4.42 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 1.34 0.00 0.00 178 V 7.19 4.47 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.68 0.00 0.00 179 W 8.47 5.10 0.00 3.22 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 0.00 180 Q 7.26 3.92 0.00 1.69 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 181 A 7.58 4.16 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 * Residues marked with a * may have inaccurate shift predictions.