NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2338 8.3044 120.3000 55.0436 34.1750 176.1909 2 D 4.5383 7.4155 121.8763 53.0429 39.3144 174.3366 3 F 5.0182 8.8625 120.8099 57.1212 41.1631 175.2160 4 R 4.9045 9.1221 119.9600 54.5853 34.4354 174.2023 5 I 4.9322 8.4845 115.6234 59.2890 40.8297 174.5078 6 G 4.4718 9.0473 110.2482 44.6354 0.0000 171.3329 7 Q 5.1976 8.6470 118.3238 54.2012 32.6069 174.1579 8 G 4.4441 9.2569 107.2595 44.9241 0.0000 170.7916 9 Y 5.3628 8.5475 122.4631 55.8804 41.7973 173.5990 10 D 4.7330 8.3388 124.5910 52.9861 45.4158 174.0571 11 V 4.7043 7.8056 121.4632 60.7668 34.5085 173.4210 12 H 5.0030 8.8420 118.6824 53.9529 33.5109 172.9207 13 Q 4.5435 8.6731 119.7382 55.9677 30.1872 174.9106 14 L 4.8285 8.7844 125.8567 54.1892 42.8894 176.1583 15 V 4.6623 9.1841 119.6057 58.7498 35.9278 173.8619 16 P 4.4282 0.0000 0.0000 63.3454 32.1270 176.5729 17 G 3.9287 9.1183 109.0220 45.8695 0.0000 173.3849 18 R 4.8635 7.4574 117.0117 53.2926 34.4644 172.9191 19 P 4.5883 0.0000 0.0000 62.6260 33.4920 175.1402 20 L 4.5797 8.5026 124.1214 54.1404 43.1162 175.2878 21 I 4.9248 8.2160 127.8398 59.4606 39.4700 175.0614 22 I 4.6251 8.1987 126.2019 60.3845 39.7826 175.9963 23 G 3.7968 9.8453 113.5630 46.6590 0.0000 174.9296 24 G 3.8988 9.0678 106.4586 45.1052 0.0000 174.2032 25 V 4.1147 7.4464 120.5602 61.0748 32.5253 174.7348 26 T 4.6301 8.4613 124.6225 63.5424 68.8589 173.9393 27 I 4.3285 8.4942 128.7324 58.5093 38.9863 174.1297 28 P 4.3618 0.0000 0.0000 63.3847 30.2583 175.1745 29 Y 4.8222 8.2800 123.3267 56.6038 41.4765 174.8895 30 E 4.0149 7.5109 123.4792 58.3831 29.8319 176.8718 31 R 4.8970 7.0203 114.1173 54.4244 34.6693 174.1718 32 G 4.5716 9.0634 106.9197 43.8336 0.0000 171.2097 33 L 5.0665 7.9354 119.3316 53.6803 42.9536 176.7925 34 L 4.4842 8.2791 125.7571 53.5357 42.8240 175.9584 *37 S 4.3060 8.5260 120.6199 57.8673 63.9702 173.4829 38 D 4.3579 8.6085 117.8057 53.6976 39.0189 176.1576 39 A 3.3696 7.6319 121.4308 53.4252 16.6876 178.4866 40 D 4.7882 8.1178 121.2978 54.9593 40.4659 176.3212 41 V 3.8929 7.9935 128.8857 63.8186 31.4048 177.9632 42 L 3.8690 7.8017 120.2603 58.0181 42.1203 178.7800 43 L 4.0118 8.0125 118.7985 58.0981 41.4344 179.2903 44 H 4.3161 8.2964 116.0172 58.8254 28.6619 177.7283 45 A 4.0406 7.9323 122.1159 55.1851 18.2257 179.7952 46 I 3.6688 7.8374 118.3418 64.7195 37.1915 178.7075 47 T 3.7236 8.3171 116.9734 66.7977 68.2402 176.3209 48 D 4.5479 8.5700 120.8139 57.4602 40.8939 178.7343 49 A 4.2400 8.0446 122.5125 54.5502 18.3442 179.7933 50 L 3.8504 7.9292 117.4579 57.9481 41.6641 179.6087 51 F 4.4843 8.0325 117.8769 60.5888 38.8758 177.9800 52 G 3.6188 8.6066 105.4974 47.8061 0.0000 175.6724 53 A 4.1845 8.1846 123.3234 53.7210 18.4703 178.6152 54 A 3.2574 7.5005 115.7062 50.6386 19.7303 176.6857 55 A 3.6814 7.4163 118.8894 53.6634 16.5526 177.9690 56 L 4.6567 8.5414 117.4452 55.2910 43.4537 177.3022 57 G 3.9916 8.8478 105.4995 44.0191 0.0000 175.2175 58 D 4.8554 8.0792 125.3459 50.6223 43.6722 175.4509 59 I 3.8504 9.3482 119.6466 64.1613 37.6330 178.0308 60 G 3.7261 8.0573 105.4140 47.7061 0.0000 175.4767 61 R 3.9994 7.8944 119.5677 59.2677 30.1884 178.4861 62 H 3.9405 7.3627 114.4698 57.1226 29.9498 176.0428 63 F 4.8965 7.7203 118.4531 55.6605 39.0446 175.0424 64 S 4.6272 7.8515 117.1416 57.7933 64.9596 172.8121 65 D 4.8048 8.4954 118.0547 54.3847 40.6147 179.0280 66 T 4.1769 7.6033 114.2946 61.2416 70.6095 176.9107 *69 R 4.1345 8.5265 125.6015 55.1891 31.4967 174.6194 70 F 4.8740 7.4164 118.9274 57.3235 39.1998 176.3780 71 K 4.1491 7.9538 123.2628 55.7575 31.8128 180.9870 72 G 3.9937 9.0250 112.0905 44.3270 0.0000 173.3422 73 A 4.1410 7.4782 123.8597 51.6647 19.1778 177.9864 74 D 4.6790 8.4230 123.0273 52.9336 42.0351 177.7722 75 S 4.2126 9.3188 116.2070 61.2262 62.6965 177.3393 76 R 3.8859 7.9142 120.7624 59.0617 29.8380 178.5899 77 A 3.9781 8.4834 120.7764 55.0819 18.3349 179.6878 78 L 3.1541 7.6395 117.2961 57.4117 41.4955 179.4899 79 L 3.8661 7.9142 120.2732 58.2228 42.0710 179.1812 80 R 3.9003 7.9908 117.9794 59.3290 30.0553 178.7042 81 E 4.0442 8.3640 119.1557 59.1920 29.5790 178.2596 82 C 3.9280 8.6223 119.0371 62.5445 31.5167 175.3523 83 A 3.9058 8.2158 122.5906 55.2052 17.8220 179.4369 84 S 4.0554 8.1387 111.4596 61.8314 62.5263 176.7737 85 R 4.0295 8.0657 120.5610 59.0586 29.8426 179.2101 86 V 3.6977 8.0963 118.0964 66.0208 31.5481 177.9841 87 A 4.3429 8.2382 122.0451 54.9017 18.0191 179.6685 88 Q 3.9900 8.3683 115.6432 58.8678 28.8554 178.4073 89 A 4.2848 8.0430 120.4005 53.2788 18.3104 178.2114 90 G 3.7601 8.2914 106.4244 44.8881 0.0000 172.6215 91 F 5.1859 8.1698 117.5606 55.4171 41.8071 174.4775 92 A 4.8930 9.0909 124.1275 50.1174 21.5463 175.9316 93 I 4.1016 8.4280 123.2857 61.6580 37.3755 175.9286 94 R 4.5673 9.1628 126.6961 57.9479 31.4776 176.3847 95 N 4.9436 7.6040 112.9557 52.0667 40.5255 173.5722 96 V 4.9300 8.6960 119.8822 61.2675 34.9150 173.8063 97 D 5.4758 9.1471 126.3391 51.8606 44.8931 174.2397 98 S 5.1058 8.1296 115.2843 57.9672 66.5526 173.2452 99 T 4.9197 8.8890 116.9912 62.0216 72.5606 172.9489 100 I 4.7406 8.9949 127.0446 59.7586 39.8384 174.7300 101 I 4.8596 9.0655 128.1168 59.6677 39.0335 174.5516 102 A 4.8243 8.8001 128.9844 50.1191 21.9334 176.8342 103 Q 3.8393 9.0003 123.2740 58.8676 29.5937 175.9547 104 A 4.4730 7.2375 117.0290 50.3290 21.8082 174.1541 105 P 4.5795 0.0000 0.0000 61.4219 33.1819 175.7830 106 K 4.1335 8.4247 117.8175 56.7925 32.4109 177.0804 107 L 4.6001 8.3662 121.5053 54.8373 44.0777 178.3382 108 A 3.9538 8.1889 121.9253 54.9044 18.1900 177.4560 109 P 4.4426 0.0000 0.0000 64.3933 31.5926 177.0511 110 H 4.8671 8.0638 115.0968 55.2317 29.5683 175.8834 111 I 3.6831 7.5526 122.7230 64.7548 37.0300 177.8592 112 D 4.3314 8.1133 118.7249 57.1883 40.6672 178.6155 113 A 3.9771 7.9417 120.8099 55.3794 18.4956 179.3608 114 M 4.2151 7.9501 118.4382 58.1067 32.0337 179.0392 115 R 3.9032 8.2722 118.2054 59.4133 30.2791 178.9890 116 A 4.0170 8.0084 120.3113 55.0768 18.3309 179.4269 117 N 4.2566 8.0963 114.8843 56.5375 38.6926 177.6596 118 I 3.6470 7.8310 120.7803 64.3480 37.1754 178.2332 119 A 3.9750 8.3738 121.7167 55.2217 18.0751 179.5416 120 A 3.9343 8.1071 119.0965 55.5550 18.2718 179.7027 121 D 4.3611 8.1419 116.1529 56.6738 40.9569 177.9495 122 L 4.3541 7.8754 116.8322 53.2686 42.8635 175.5745 123 D 4.3587 7.5694 117.7006 55.6030 40.0955 172.9443 124 L 4.8564 7.9651 117.1739 51.7381 45.0623 175.6011 125 P 4.4042 0.0000 0.0000 62.4927 32.1586 176.9941 126 L 3.9217 8.6555 122.1140 58.4496 42.0079 178.2462 127 D 4.6161 8.0643 114.2872 54.2664 39.4820 176.3181 128 R 4.5974 8.1288 118.2514 56.0609 31.8070 175.2098 129 V 4.7912 7.8413 119.5883 60.9935 33.6852 174.3246 130 N 5.1122 9.1967 125.5303 51.8169 42.6811 172.9783 131 V 4.8801 8.2813 123.7537 59.9927 34.5029 174.4927 132 K 4.8380 9.0895 126.5864 54.4908 35.7326 174.8257 133 A 5.2021 8.4524 123.1383 50.2570 21.7755 175.7181 134 K 4.7424 9.0021 120.5681 54.8614 36.9581 176.4261 135 T 4.9015 8.4147 113.4736 60.1079 70.9527 173.7135 136 N 4.7111 8.6413 116.6342 52.7142 39.0141 174.1415 137 E 3.5513 8.3316 113.1489 57.3878 27.4293 175.2856 138 K 4.1364 8.3723 113.0257 56.6334 30.6984 175.6323 139 L 4.4351 7.6822 119.9679 54.0396 43.2596 178.2679 140 G 4.0022 8.5277 112.5215 45.0851 0.0000 173.1889 141 Y 4.1832 8.1281 115.8047 59.9798 37.8261 178.1777 142 L 4.2058 7.1207 120.6372 57.7328 41.3697 179.5138 143 G 3.6511 8.0283 105.4805 47.2721 0.0000 175.0184 144 R 4.4167 8.0879 117.9715 55.7043 30.3535 176.8974 145 G 3.9738 7.8554 106.8594 46.5617 0.0000 175.0859 146 E 4.1762 8.8047 122.3076 58.4195 29.7715 176.4268 147 G 4.4957 7.5845 103.4727 45.6240 0.0000 172.2933 148 I 4.9244 8.5510 119.6871 59.3560 40.8741 174.7828 149 E 5.0387 8.9312 126.7715 54.3820 32.6291 174.3549 150 A 5.2170 8.7202 126.0445 50.2545 22.7792 174.9803 151 Q 5.2855 9.2531 119.5633 54.2016 32.6244 174.6497 152 A 5.2135 9.0288 122.5103 50.4356 23.3995 174.8799 153 A 5.2130 9.1497 120.7672 50.1552 22.8400 175.2022 154 A 5.0581 9.0869 122.5227 50.0263 23.1848 174.5609 155 L 5.0555 8.7802 123.4239 53.4305 44.7409 175.8139 156 V 5.1951 8.8472 118.6469 59.5339 36.3177 174.6704 157 V 4.8727 8.8309 120.3994 60.1477 34.8401 175.5785 158 R 4.4077 8.6704 122.9800 55.8110 29.5065 175.8497 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 1 M 8.30 4.23 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 2 D 7.42 4.54 0.00 2.85 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.86 5.02 0.00 3.03 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 4 R 9.12 4.90 0.00 1.61 1.72 0.00 3.30 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 5 I 8.48 4.93 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 1.29 0.93 0.92 0.00 0.00 6 G 9.05 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 0.00 0.00 0.00 0.00 7 Q 8.65 5.20 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 8 G 9.26 4.44 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 0.00 9 Y 8.55 5.36 0.00 2.94 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 10 D 8.34 4.73 0.00 2.77 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 11 V 7.81 4.70 1.93 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 0.79 0.00 0.00 1.11 0.00 0.00 12 H 8.84 5.00 0.00 3.06 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.67 4.54 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 14 L 8.78 4.83 0.00 1.65 1.66 1.03 1.08 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 15 V 9.18 4.66 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 0.69 0.00 0.00 0.95 0.00 0.00 16 P 0.00 4.43 0.00 1.93 1.96 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 17 G 9.12 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 0.00 0.00 0.00 18 R 7.46 4.86 0.00 1.70 1.77 0.00 3.29 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 19 P 0.00 4.59 0.00 2.11 2.17 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 20 L 8.50 4.58 0.00 2.08 1.84 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.22 4.92 1.83 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 1.39 1.10 0.87 0.00 0.00 22 I 8.20 4.63 1.81 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 1.16 1.24 0.86 0.00 0.00 23 G 9.85 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 0.00 0.00 0.00 24 G 9.07 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 25 V 7.45 4.11 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 0.94 0.00 0.00 0.98 0.00 0.00 26 T 8.46 4.63 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 1.21 0.00 0.00 27 I 8.49 4.33 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.55 0.81 0.00 0.00 28 P 0.00 4.36 0.00 1.99 2.05 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 29 Y 8.28 4.82 0.00 2.92 2.92 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 30 E 7.51 4.01 0.00 1.45 1.77 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 2.12 2.22 0.00 31 R 7.02 4.90 0.00 1.79 1.97 0.00 3.32 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.46 0.00 32 G 9.06 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.94 5.07 0.00 1.53 1.56 0.91 0.97 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 34 L 8.28 4.48 0.00 1.68 1.61 0.94 0.99 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 *37 S 8.53 4.31 0.00 4.14 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 38 D 8.61 4.36 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.63 3.37 1.18 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 0.00 0.00 40 D 8.12 4.79 0.00 2.76 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 41 V 7.99 3.89 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 0.92 0.00 0.00 0.93 0.00 0.00 42 L 7.80 3.87 0.00 1.73 1.80 0.90 0.64 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 43 L 8.01 4.01 0.00 1.74 1.70 0.97 1.09 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 44 H 8.30 4.32 0.00 3.34 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.93 4.04 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 46 I 7.84 3.67 1.98 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 1.51 0.94 0.87 0.00 0.00 47 T 8.32 3.72 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 48 D 8.57 4.55 0.00 2.91 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 49 A 8.04 4.24 1.43 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 50 L 7.93 3.85 0.00 1.60 1.50 0.81 0.81 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 51 F 8.03 4.48 0.00 3.20 3.03 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 52 G 8.61 3.62 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 0.00 53 A 8.18 4.18 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 54 A 7.50 3.26 1.14 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 0.00 0.00 55 A 7.42 3.68 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 56 L 8.54 4.66 0.00 1.79 1.74 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.85 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 58 D 8.08 4.86 0.00 3.07 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *69 R 8.53 4.13 0.00 1.85 1.91 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 70 F 7.42 4.87 0.00 3.21 3.03 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 71 K 7.95 4.15 0.00 1.77 1.61 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.01 7.81 72 G 9.02 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 73 A 7.48 4.14 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 74 D 8.42 4.68 0.00 3.15 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.32 4.21 0.00 3.86 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 76 R 7.91 3.89 0.00 1.95 2.01 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 77 A 8.48 3.98 1.36 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 0.00 0.00 78 L 7.64 3.15 0.00 1.62 0.99 0.74 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.91 3.87 0.00 1.83 1.79 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.99 3.90 0.00 2.04 1.97 0.00 3.18 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 81 E 8.36 4.04 0.00 2.21 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 2.67 2.78 0.00 82 C 8.62 3.93 0.00 2.89 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 83 A 8.22 3.91 1.34 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 0.00 0.00 0.00 84 S 8.14 4.06 0.00 4.04 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 85 R 8.07 4.03 0.00 2.24 2.13 0.00 3.41 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.96 0.00 86 V 8.10 3.70 2.23 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 1.07 0.00 0.00 0.87 0.00 0.00 87 A 8.24 4.34 1.43 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 88 Q 8.37 3.99 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 89 A 8.04 4.28 1.65 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 0.00 0.00 90 G 8.29 3.76 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 0.00 0.00 0.00 91 F 8.17 5.19 0.00 3.15 2.92 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 92 A 9.09 4.89 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 93 I 8.43 4.10 1.88 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 1.34 0.60 0.91 0.00 0.00 94 R 9.16 4.57 0.00 1.90 2.07 0.00 3.49 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.06 0.00 95 N 7.60 4.94 0.00 2.85 2.87 0.00 0.00 5.61 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 96 V 8.70 4.93 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 0.92 0.00 0.00 0.91 0.00 0.00 97 D 9.15 5.48 0.00 2.79 2.43 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 98 S 8.13 5.11 0.00 3.98 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 99 T 8.89 4.92 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 1.20 0.00 0.00 100 I 8.99 4.74 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.86 0.00 0.00 101 I 9.07 4.86 1.84 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 1.14 0.67 0.90 0.00 0.00 102 A 8.80 4.82 1.15 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 0.00 0.00 0.00 103 Q 9.00 3.84 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 104 A 7.24 4.47 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 0.00 105 P 0.00 4.58 0.00 2.14 2.04 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 106 K 8.42 4.13 0.00 1.77 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.47 7.81 107 L 8.37 4.60 0.00 1.66 1.66 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.19 3.95 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 0.00 109 P 0.00 4.44 0.00 1.77 2.01 0.00 3.49 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 110 H 8.06 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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 1.43 0.84 0.89 0.00 0.00 119 A 8.37 3.97 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 0.00 120 A 8.11 3.93 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 0.00 121 D 8.14 4.36 0.00 2.77 2.72 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 0.00 122 L 7.88 4.35 0.00 1.61 1.68 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.57 4.36 0.00 2.70 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 0.00 124 L 7.97 4.86 0.00 1.61 1.53 0.92 0.90 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 0.00 125 P 0.00 4.40 0.00 2.40 2.18 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 126 L 8.66 3.92 0.00 1.74 1.72 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.33 1.50 7.81 135 T 8.41 4.90 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 1.19 0.00 0.00 136 N 8.64 4.71 0.00 2.73 2.82 0.00 0.00 6.90 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 0.00 137 E 8.33 3.55 0.00 2.15 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 2.23 2.39 0.00 138 K 8.37 4.14 0.00 1.91 1.92 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.50 7.81 139 L 7.68 4.44 0.00 1.83 1.53 0.90 0.93 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 0.00 140 G 8.53 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.13 4.18 0.00 3.35 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 0.00 142 L 7.12 4.21 0.00 1.50 1.65 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.03 3.65 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 0.00 0.00 0.00 144 R 8.09 4.42 0.00 1.85 2.02 0.00 3.29 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 145 G 7.86 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 0.00 146 E 8.80 4.18 0.00 2.28 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 2.39 2.34 0.00 147 G 7.58 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.92 1.85 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 1.07 1.03 0.93 0.00 0.00 149 E 8.93 5.04 0.00 2.05 1.74 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 2.08 2.04 0.00 150 A 8.72 5.22 1.17 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 0.00 0.00 151 Q 9.25 5.29 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 152 A 9.03 5.21 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 0.00 153 A 9.15 5.21 1.19 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 0.00 0.00 154 A 9.09 5.06 1.17 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 0.00 0.00 155 L 8.78 5.06 0.00 1.78 1.69 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.85 5.20 2.23 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 0.76 0.00 0.00 0.76 0.00 0.00 157 V 8.83 4.87 1.66 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 0.67 0.00 0.00 0.11 0.00 0.00 158 R 8.67 4.41 0.00 1.58 1.82 0.00 2.66 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.10 0.00 * Residues marked with a * may have inaccurate shift predictions.