NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 G 3.9415 8.2133 109.7298 45.2087 0.0000 175.7852 25 L 3.9624 7.9014 122.8003 56.6487 41.2964 176.2875 26 E 3.9737 8.5094 120.2040 61.0223 29.9000 182.8561 27 A 4.3244 7.6422 120.4502 55.0155 18.1458 179.8758 28 V 3.5683 7.3943 115.5573 65.6683 31.8566 177.6499 29 R 4.1370 7.7157 115.0546 57.2590 30.1565 177.8661 30 K 4.3996 7.5049 116.7533 57.0462 34.5676 177.1227 31 R 4.6815 7.5673 116.0613 53.6579 30.2565 173.8406 32 P 4.4564 0.0000 0.0000 65.5156 32.3100 179.8067 33 G 4.3282 8.3114 107.8847 48.6756 0.0000 175.1690 34 M 3.9197 7.8569 118.5299 58.2592 32.0796 177.0776 35 Y 4.3675 7.9309 114.0319 59.1614 38.9735 176.1892 36 I 4.0439 9.2269 118.4681 59.8054 39.3567 171.6798 37 G 3.6351 8.4158 115.6444 44.9444 0.0000 171.8980 38 S 3.5155 8.3983 122.2956 58.1964 63.5773 172.3250 39 T 4.6503 8.1117 108.9501 61.8519 69.6236 175.4840 40 S 4.9036 7.7115 120.7421 59.1851 65.4483 172.6028 41 E 3.9936 8.7845 119.1961 59.6747 29.2752 179.9097 42 R 4.3483 7.9959 119.4565 59.2930 30.1862 178.7015 43 G 3.7529 8.1439 105.1433 47.4817 0.0000 175.0620 44 L 3.5769 7.6004 121.8426 58.5727 42.2378 178.6902 45 H 4.4923 7.8420 115.7905 58.9058 28.8105 177.1454 46 H 4.6447 8.2370 120.2329 59.1862 29.6755 177.0605 47 L 3.9363 7.8508 120.6131 58.0051 41.5341 179.6632 48 V 3.6687 7.5759 117.7674 65.8266 31.2365 178.1353 49 W 4.5678 7.2504 118.0281 59.6664 28.7292 178.1293 50 E 4.0277 7.9226 117.3927 58.8450 29.0294 178.9311 51 I 3.9783 7.3489 118.8925 64.0894 37.4971 178.4423 52 V 3.6889 7.9291 119.1356 66.0524 31.4981 177.7048 53 D 4.4825 8.5838 118.9957 57.4990 40.4663 178.7042 54 N 4.3893 7.9879 116.7443 56.4899 38.7080 177.6027 55 S 4.2024 8.1439 116.0162 61.7043 62.8166 176.7595 56 I 3.8483 7.7219 122.3846 64.2526 36.8475 178.0570 57 D 4.3944 8.0823 119.5709 57.5010 40.7397 178.5849 58 E 4.1149 8.0960 118.8552 59.3552 29.4570 179.3867 59 A 4.3465 7.7552 121.4698 54.9137 18.3650 179.8150 60 L 4.1698 8.1272 116.0179 57.6850 41.7087 179.3939 61 A 4.1865 8.4362 120.3103 53.4521 18.2373 178.3108 62 G 3.7106 8.3758 105.5814 45.7660 0.0000 173.5706 63 Y 4.4513 7.7365 117.2722 58.6130 39.7251 176.3674 64 A 4.9026 7.7683 121.5125 51.2776 21.0308 176.8422 65 N 5.2479 8.3919 114.3550 53.0208 40.0546 173.4831 66 Q 5.0505 8.0459 117.2070 55.3165 33.8049 173.7061 67 I 5.1096 8.4803 122.4432 60.1730 42.3880 173.3883 68 E 5.1332 9.4156 127.5703 54.2884 33.2186 174.3408 69 V 4.8269 8.9217 126.5196 61.1172 34.3729 174.1145 70 V 4.7545 8.6520 128.1205 61.1604 34.6182 174.5619 71 I 3.9926 8.4759 129.1439 60.3549 37.7516 175.4965 72 E 4.6694 8.8094 129.6805 55.3059 31.4395 177.2394 73 K 3.9527 8.5726 121.3852 56.8562 31.9116 176.3491 74 D 4.6529 9.3703 120.3918 54.3109 38.1712 173.5383 75 N 4.4339 8.2534 113.9986 54.1783 36.5626 174.7930 76 W 4.3601 7.8771 116.7328 56.9795 30.7081 175.4398 77 I 4.7572 8.0616 121.5411 59.3259 40.5888 174.7108 78 K 5.0587 8.6182 126.0092 54.7643 35.4402 174.8248 79 V 4.9163 8.9820 127.5901 61.4696 34.3715 174.3517 80 T 5.3335 8.8954 123.4928 61.9578 72.5597 172.6806 81 D 5.7954 9.1431 123.7686 50.3670 43.9470 174.9151 82 N 5.4191 8.4744 114.4194 52.3417 38.3935 175.9965 83 G 4.1182 8.0344 115.1978 47.2801 0.0000 175.2892 84 R 4.0647 9.0326 119.9130 56.2113 30.8491 177.3170 85 G 4.6445 8.1117 104.1760 46.3948 0.0000 173.3499 86 I 3.8601 7.9551 122.1780 60.2478 38.0719 174.6423 87 P 4.4395 0.0000 0.0000 62.8701 31.7562 177.3268 88 V 4.3514 7.8439 111.3060 60.5807 33.5922 175.9908 89 D 4.5709 7.6881 120.3428 53.0505 40.6739 175.7980 90 I 4.1355 8.2436 121.4212 61.5571 38.1977 175.0260 91 Q 4.4289 8.4039 129.0753 54.4554 30.4896 176.7244 92 E 4.5190 8.5859 128.5362 56.7449 29.3977 174.0958 93 K 4.7587 7.6218 119.9707 54.6760 34.6269 178.2990 94 M 4.7167 8.2017 110.0647 55.6461 36.5105 175.5182 95 G 3.8569 8.6970 107.6970 46.0048 0.0000 173.0148 96 R 4.6550 7.5842 117.4270 52.9697 32.7283 174.1124 97 P 4.5688 0.0000 0.0000 62.5849 33.4167 177.3318 98 A 3.9923 8.4632 123.5245 55.6717 18.2782 180.9249 99 V 3.5934 7.4097 115.9913 64.7905 31.5810 178.1972 100 E 4.0309 8.1367 119.5582 59.1029 29.2807 178.8454 101 V 3.5800 7.3779 116.9139 66.0128 31.6512 177.8525 102 I 3.8462 7.3641 118.1246 64.3954 37.1851 178.1861 103 L 4.0115 8.0066 120.0850 57.3068 41.3902 178.5419 104 T 4.1739 7.5064 107.9492 62.3223 68.6281 175.9272 *128 S 4.6904 7.5735 115.2564 58.4657 64.6922 173.1670 129 S 4.4239 7.3951 115.9838 57.2014 63.4640 175.4057 130 V 3.4084 8.2252 126.5436 66.0151 31.1581 178.3746 131 V 3.3856 7.5356 116.4702 65.9697 30.9897 177.0009 132 N 4.2420 7.7800 116.1841 56.4950 38.5265 176.7102 133 A 3.9888 7.4911 120.7045 54.5628 18.5704 178.6582 134 L 4.5714 7.5878 115.6222 53.9221 42.4759 176.1278 135 S 4.9503 7.2851 114.2554 56.7007 65.8143 175.1965 136 Q 4.2069 8.7820 122.4011 58.4134 29.9680 175.4801 137 D 5.2502 7.5779 117.5279 52.6626 45.8846 174.4337 138 L 5.1844 8.4485 120.0909 54.5231 46.3409 173.4635 139 E 5.4930 9.7569 125.2740 54.5298 33.2517 175.1365 140 V 5.0663 8.3024 120.8236 60.2439 35.1904 174.0370 141 Y 5.2717 8.9364 119.5778 56.4135 41.9027 174.2910 142 V 4.9032 8.8080 124.0478 61.5310 34.3368 173.9152 143 H 5.1642 8.9797 125.5318 54.9113 30.5756 173.5911 144 R 4.5278 9.1182 120.6688 56.2436 34.2380 174.0523 145 N 4.3330 9.7568 120.3066 54.5907 36.3666 174.6870 146 E 4.2085 8.3764 112.6135 56.6717 27.7538 173.8809 147 T 4.9196 7.7862 115.2013 61.6805 72.7812 172.8833 148 I 4.7303 7.9514 124.0892 60.0100 39.4464 174.6186 149 Y 5.2890 8.7211 124.8103 56.7743 41.2638 174.4770 150 H 5.2419 9.0244 120.7382 54.6032 33.9946 171.9455 151 Q 4.3162 8.3888 124.6280 54.4748 32.8209 172.7569 152 A 4.9240 6.9405 124.5431 50.2906 22.9868 174.4180 153 Y 5.2488 8.8624 116.1930 56.1776 42.9579 174.6319 154 K 4.8704 8.3859 120.0423 54.1753 35.7527 176.9769 155 K 4.0328 9.3686 124.1292 56.3522 29.7664 175.7984 156 G 3.7656 8.3365 103.8468 44.6474 0.0000 173.8050 157 V 4.1981 7.8318 121.0292 60.0494 32.1327 173.5070 158 P 4.3844 0.0000 0.0000 63.4127 31.5707 176.3889 159 Q 4.3914 7.7933 120.7239 56.1408 29.6930 175.7659 160 F 4.6369 6.7975 109.5026 55.7297 39.6782 173.3450 161 D 4.3402 9.0144 122.2834 54.5425 41.1352 176.2838 162 L 4.1979 8.4912 124.4977 55.9396 42.4678 176.2945 163 K 4.8564 9.0254 124.3705 55.0416 36.3036 174.9715 164 E 4.7036 8.8497 121.8704 56.2687 29.8824 176.6749 165 V 4.3247 8.3989 116.5348 60.8542 33.8686 175.4952 166 G 4.1411 7.0942 106.4014 46.1754 0.0000 172.1982 167 T 5.1938 8.3460 108.9125 60.5296 72.1296 173.0107 168 T 4.6717 8.4840 114.9945 61.4642 71.0304 173.5225 169 D 4.7892 8.8750 124.8333 53.1787 40.2143 175.7291 170 K 4.6904 7.9152 119.1394 54.9150 35.1937 174.8386 171 T 4.8568 8.9979 109.4978 59.7470 71.5193 174.5131 172 G 4.0623 7.6152 107.8767 47.2241 0.0000 170.9113 173 T 5.3978 7.8043 114.9056 61.9476 73.3329 173.6525 174 V 4.9821 8.9734 123.9621 61.3003 35.2665 174.3074 175 I 5.3649 8.9069 126.6563 59.7487 41.3777 174.4844 176 R 5.4734 9.1285 124.7926 54.4986 33.9334 174.4274 177 F 5.3353 9.1042 117.8631 55.1858 42.1710 173.3353 178 K 4.2358 8.0844 122.1830 53.9862 33.7795 175.3957 179 A 4.3017 8.5440 130.6411 52.5192 18.8656 176.4819 180 D 4.7300 8.7963 121.1531 53.5296 42.2067 178.1490 181 G 3.2750 8.7508 114.1423 47.7289 0.0000 174.8031 182 E 4.1097 9.2321 121.1383 59.0513 29.4936 178.6062 183 I 3.9901 7.6126 117.6794 61.9753 39.4061 176.7949 184 F 4.5050 8.6639 120.8127 56.0394 37.3783 174.8068 185 T 3.9724 7.1570 112.3146 62.4027 69.3482 173.2931 186 E 4.1505 9.4937 126.8203 55.7237 29.0855 173.6744 187 T 4.5808 7.3482 111.4871 61.0163 70.4855 173.6258 188 T 4.3032 8.5640 117.0537 60.9746 69.3663 173.3852 189 V 4.2296 6.9653 121.5500 61.3344 33.3503 174.8667 190 Y 4.1759 8.4016 124.7938 57.5905 38.7902 174.7716 191 N 4.7944 8.9034 122.5166 52.3316 39.2679 174.6030 192 Y 4.1104 9.0985 129.7944 61.7743 38.4001 178.3841 193 E 4.2356 8.6378 118.3923 61.5899 29.2481 181.0929 194 T 4.1714 7.9477 115.4935 66.8557 68.5768 176.8942 195 L 4.4360 7.8596 120.4657 57.6571 41.6764 178.9838 196 Q 3.9175 7.8681 119.6352 59.4796 28.8641 178.5162 197 Q 3.9520 7.8029 119.1262 58.8281 28.9701 177.8814 198 R 3.7853 7.5803 120.2929 59.0186 29.6251 178.3844 199 I 3.7508 7.9760 119.6819 64.2202 37.0375 178.3098 200 R 3.3327 7.7396 119.6951 58.7959 29.7602 178.3674 201 E 3.8673 7.7408 118.6535 59.2116 29.4300 179.0094 202 L 3.9050 7.9952 118.9454 58.0774 41.5427 179.6409 203 A 4.0886 7.4556 117.7891 54.8132 18.4380 179.1482 204 F 3.1330 7.7811 118.5889 60.6538 39.3919 176.9563 205 L 4.2994 7.8432 117.9228 55.2470 42.6332 176.4044 206 N 4.7912 8.0404 116.5572 50.8379 38.9556 172.6329 207 K 4.1319 8.0556 121.7284 56.7722 32.9938 177.2043 208 G 4.1640 8.7894 111.9952 45.5757 0.0000 173.9635 209 I 4.1185 7.1360 119.7549 60.7362 38.1317 175.4766 210 Q 4.5742 8.5280 128.5538 55.3884 30.5601 174.3501 211 I 5.1578 9.0203 127.0003 59.8623 40.8655 174.4467 212 T 5.1167 8.9609 123.2609 61.5922 71.8108 172.6112 213 L 5.1847 9.0660 128.4704 53.2423 45.1132 175.0174 214 R 5.0862 8.7389 125.7153 54.7993 33.7188 172.9943 215 D 5.1940 9.1816 127.3091 52.7340 42.5065 175.9240 216 E 4.5449 8.5051 125.2699 56.2741 29.8460 177.7709 217 R 3.9523 8.7424 121.9255 59.5374 30.4989 176.6146 218 D 4.7885 7.8647 118.5960 52.0793 41.8485 176.5688 219 E 4.0488 8.7840 125.5942 59.0502 29.7833 177.7401 220 E 4.1609 8.1679 117.2872 57.4455 29.8514 176.5383 221 N 4.6336 7.7547 116.9684 52.6401 39.8985 172.6785 222 V 4.4038 8.0002 124.4228 61.4278 33.3651 174.7798 223 R 4.7397 8.4354 125.8233 54.6130 32.8762 174.8535 224 E 5.2858 8.5746 122.6585 55.2162 32.9140 173.6696 225 D 4.9872 9.5648 126.6664 52.5359 44.6266 174.9256 226 S 4.9705 8.2864 118.0779 56.8701 65.8880 172.8164 227 Y 4.6185 8.8242 122.6404 56.5986 40.4487 174.9517 228 H 5.1940 8.6584 123.6320 55.2453 31.0126 170.9340 229 Y 4.3563 8.7958 123.3427 57.3551 39.7218 175.9781 230 E 4.1939 8.7648 118.2614 56.2473 29.9801 174.8201 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 24 G 8.21 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 0.00 0.00 0.00 25 L 7.90 3.96 0.00 1.70 1.65 0.83 0.66 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 26 E 8.51 3.97 0.00 1.97 1.96 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 2.31 1.95 0.00 27 A 7.64 4.32 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.39 3.57 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 0.58 0.00 0.00 0.41 0.00 0.00 29 R 7.72 4.14 0.00 1.83 1.91 0.00 3.16 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 30 K 7.50 4.40 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.67 7.81 31 R 7.57 4.68 0.00 1.90 1.79 0.00 3.12 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 32 P 0.00 4.46 0.00 2.17 2.26 0.00 3.71 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 2.01 1.86 0.00 33 G 8.31 4.33 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 0.00 34 M 7.86 3.92 0.00 1.64 2.17 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 35 Y 7.93 4.37 0.00 2.92 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 36 I 9.23 4.04 1.98 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.99 1.03 0.00 0.00 37 G 8.42 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 0.00 0.00 0.00 38 S 8.40 3.52 0.00 4.13 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 39 T 8.11 4.65 3.68 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 0.00 0.00 0.00 0.86 0.00 0.00 40 S 7.71 4.90 0.00 4.11 4.09 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 0.00 0.00 0.00 41 E 8.78 3.99 0.00 2.14 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 2.46 2.56 0.00 42 R 8.00 4.35 0.00 1.98 1.98 0.00 3.30 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 43 G 8.14 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.60 3.58 0.00 1.24 1.47 0.06 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 45 H 7.84 4.49 0.00 3.65 3.57 0.00 5.88 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 46 H 8.24 4.64 0.00 3.58 3.64 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.85 3.94 0.00 1.96 1.60 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.58 3.67 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 0.47 0.00 0.00 0.67 0.00 0.00 49 W 7.25 4.57 0.00 3.46 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 50 E 7.92 4.03 0.00 2.08 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 2.50 0.00 51 I 7.35 3.98 1.92 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.78 0.97 0.00 0.00 52 V 7.93 3.69 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 1.20 0.00 0.00 0.97 0.00 0.00 53 D 8.58 4.48 0.00 2.85 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 54 N 7.99 4.39 0.00 2.91 2.88 0.00 0.00 6.96 8.93 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 55 S 8.14 4.20 0.00 4.06 3.96 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 56 I 7.72 3.85 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.05 0.93 0.00 0.00 57 D 8.08 4.39 0.00 2.94 2.75 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 0.00 0.00 0.00 58 E 8.10 4.11 0.00 2.19 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 0.00 2.38 2.53 0.00 59 A 7.76 4.35 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 60 L 8.13 4.17 0.00 1.74 1.75 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.44 4.19 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.38 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 63 Y 7.74 4.45 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.77 4.90 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 65 N 8.39 5.25 0.00 2.76 2.97 0.00 0.00 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2.87 0.00 0.00 0.00 0.00 1.46 1.07 7.81 74 D 9.37 4.65 0.00 3.07 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 75 N 8.25 4.43 0.00 2.95 3.05 0.00 0.00 6.90 7.38 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 76 W 7.88 4.36 0.00 3.33 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 77 I 8.06 4.76 0.56 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.11 0.55 0.00 0.00 78 K 8.62 5.06 0.00 1.82 1.58 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.55 7.81 79 V 8.98 4.92 2.15 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 0.96 0.00 0.00 0.97 0.00 0.00 80 T 8.90 5.33 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 1.21 0.00 0.00 81 D 9.14 5.80 0.00 2.76 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 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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 2.30 2.34 0.00 147 T 7.79 4.92 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 0.67 0.00 0.00 148 I 7.95 4.73 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.58 0.94 0.00 0.00 149 Y 8.72 5.29 0.00 2.90 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 0.00 150 H 9.02 5.24 0.00 3.20 3.15 0.00 5.63 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 0.00 151 Q 8.39 4.32 0.00 1.87 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 1.26 1.73 0.00 152 A 6.94 4.92 1.13 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 0.00 0.00 153 Y 8.86 5.25 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 0.00 154 K 8.39 4.87 0.00 1.66 1.70 0.00 1.87 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 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0.00 0.00 163 K 9.03 4.86 0.00 1.89 1.94 0.00 1.19 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.63 1.47 7.81 164 E 8.85 4.70 0.00 1.84 1.78 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 2.17 2.43 0.00 165 V 8.40 4.32 2.12 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 0.79 0.00 0.00 1.07 0.00 0.00 166 G 7.09 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 0.00 0.00 0.00 167 T 8.35 5.19 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 1.17 0.00 0.00 168 T 8.48 4.67 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 1.38 0.00 0.00 169 D 8.88 4.79 0.00 2.83 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 0.00 170 K 7.92 4.69 0.00 1.76 1.76 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.34 7.81 171 T 9.00 4.86 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 1.25 0.00 0.00 172 G 7.62 4.06 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 0.00 0.00 0.00 173 T 7.80 5.40 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 1.29 0.00 0.00 174 V 8.97 4.98 2.34 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 1.13 0.00 0.00 0.97 0.00 0.00 175 I 8.91 5.36 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.03 1.15 0.00 0.00 176 R 9.13 5.47 0.00 2.09 2.14 0.00 3.15 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 177 F 9.10 5.34 0.00 2.94 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 0.00 178 K 8.08 4.24 0.00 0.79 0.74 0.00 1.23 0.00 0.00 1.07 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.97 1.05 7.81 179 A 8.54 4.30 0.91 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 0.00 0.00 180 D 8.80 4.73 0.00 2.80 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 0.00 181 G 8.75 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 0.00 0.00 0.00 182 E 9.23 4.11 0.00 1.94 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 2.50 2.50 0.00 183 I 7.61 3.99 1.65 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 1.58 0.70 0.35 0.00 0.00 184 F 8.66 4.51 0.00 2.98 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 0.00 185 T 7.16 3.97 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 1.25 0.00 0.00 186 E 9.49 4.15 0.00 2.12 2.21 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 2.17 2.28 0.00 187 T 7.35 4.58 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 0.00 188 T 8.56 4.30 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 1.20 0.00 0.00 189 V 6.97 4.23 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 0.84 0.00 0.00 0.97 0.00 0.00 190 Y 8.40 4.18 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 0.00 191 N 8.90 4.79 0.00 2.90 2.82 0.00 0.00 6.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 Y 9.10 4.11 0.00 3.10 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 0.00 193 E 8.64 4.24 0.00 2.01 1.96 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 2.32 1.99 0.00 194 T 7.95 4.17 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 1.20 0.00 0.00 195 L 7.86 4.44 0.00 1.61 1.61 0.71 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 196 Q 7.87 3.92 0.00 1.94 2.29 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 2.44 2.57 0.00 197 Q 7.80 3.95 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 198 R 7.58 3.79 0.00 1.80 1.80 0.00 2.83 0.00 0.00 2.56 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 199 I 7.98 3.75 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.29 1.02 0.00 0.00 200 R 7.74 3.33 0.00 1.09 1.63 0.00 3.27 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 201 E 7.74 3.87 0.00 2.02 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 2.20 2.44 0.00 202 L 8.00 3.90 0.00 1.69 1.75 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 203 A 7.46 4.09 1.50 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 0.00 204 F 7.78 3.13 0.00 2.34 2.98 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 0.00 205 L 7.84 4.30 0.00 1.87 1.66 1.15 0.86 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 0.00 206 N 8.04 4.79 0.00 2.69 2.70 0.00 0.00 6.90 7.22 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 0.00 207 K 8.06 4.13 0.00 1.69 1.75 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.22 1.16 7.81 208 G 8.79 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 0.00 0.00 0.00 0.00 209 I 7.14 4.12 1.92 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 1.29 0.88 0.94 0.00 0.00 210 Q 8.53 4.57 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 211 I 9.02 5.16 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 1.02 0.00 0.00 212 T 8.96 5.12 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 1.28 0.00 0.00 213 L 9.07 5.18 0.00 1.74 1.55 0.83 0.23 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 0.00 214 R 8.74 5.09 0.00 1.93 1.73 0.00 3.14 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.85 0.00 215 D 9.18 5.19 0.00 3.36 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 0.00 216 E 8.51 4.54 0.00 2.00 1.96 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 2.38 2.24 0.00 217 R 8.74 3.95 0.00 1.94 2.08 0.00 3.22 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 218 D 7.86 4.79 0.00 2.70 2.53 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 0.00 219 E 8.78 4.05 0.00 2.11 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 2.27 2.33 0.00 220 E 8.17 4.16 0.00 2.01 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 2.32 2.23 0.00 221 N 7.75 4.63 0.00 2.59 2.66 0.00 0.00 7.02 8.50 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 0.00 222 V 8.00 4.40 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 0.86 0.00 0.00 0.92 0.00 0.00 223 R 8.44 4.74 0.00 1.63 1.66 0.00 3.05 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.26 0.00 224 E 8.57 5.29 0.00 1.95 1.78 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 2.21 2.45 0.00 225 D 9.56 4.99 0.00 2.76 2.39 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 0.00 226 S 8.29 4.97 0.00 3.59 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 0.00 227 Y 8.82 4.62 0.00 3.14 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 0.00 228 H 8.66 5.19 0.00 3.11 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 Y 8.80 4.36 0.00 3.15 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 0.00 230 E 8.76 4.19 0.00 1.99 1.71 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.