NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3165 8.2729 122.1424 54.6429 34.6856 178.4025 3 D 4.3153 8.1909 120.8334 58.3313 39.6810 180.1614 4 L 4.3646 8.2051 121.8062 57.7802 42.0567 179.9889 5 K 4.0457 8.0244 125.9346 60.2604 31.8016 183.0540 6 K 4.1594 8.2266 125.4218 59.5671 31.5593 180.7270 7 I 4.0092 7.7833 121.4672 64.6416 37.0327 178.4048 8 E 3.9440 8.1615 119.0084 59.2104 29.2041 179.3786 9 S 3.9179 7.9892 113.2274 61.7019 62.4977 175.9505 10 Y 3.8611 7.7995 119.2893 60.8502 37.4720 178.3835 11 L 3.9350 8.2613 120.2645 57.8952 41.7551 179.2968 12 D 4.2809 8.2570 118.9063 57.3894 40.5430 179.0668 13 K 3.8623 7.7219 117.7374 59.2152 32.0513 178.8357 14 L 4.2159 8.2123 117.0868 54.6410 42.0579 176.8729 15 R 3.6648 7.5143 116.9968 57.1385 27.9200 177.4415 16 I 3.9758 7.8155 119.8135 60.1741 36.7822 175.9002 17 K 4.5729 9.1397 125.8816 54.1848 33.9649 177.8042 18 E 3.9322 8.9716 122.0311 59.6784 29.4299 179.0780 19 K 4.1595 7.8903 115.5595 59.0492 33.3597 176.9254 20 D 4.6666 8.3127 122.5018 54.4801 41.0825 176.6352 21 G 3.8036 7.6391 111.4540 47.5134 0.0000 175.4259 22 E 4.3670 8.6473 122.2098 56.4721 29.2163 177.4117 23 E 4.1937 7.9355 120.7655 59.7443 29.6723 179.0160 24 R 3.9244 8.0721 117.8417 59.5852 30.0530 178.2958 25 K 4.0673 8.0746 118.7545 59.4531 32.2111 178.5012 26 I 3.7399 8.2168 120.3302 64.4972 37.1765 177.7223 27 Y 4.1140 8.8430 117.6485 61.5102 37.6294 179.2620 28 A 4.1157 7.9621 119.9059 54.8576 18.4937 178.9427 29 E 4.1141 7.9329 116.9124 59.1047 30.0035 178.5926 30 V 4.0381 7.9780 110.1786 61.7309 32.2373 175.6403 31 L 4.7401 7.6183 118.1543 52.9621 44.1990 174.8490 32 D 5.1234 8.1127 118.1915 50.9046 43.7303 176.5718 33 G 3.7143 8.5914 106.1298 48.0086 0.0000 175.9986 34 R 3.9259 7.9950 118.2098 59.3356 29.4334 179.0108 35 T 3.9070 8.3796 116.4888 66.3643 68.3792 176.8216 36 L 3.8964 7.8694 121.0005 57.4663 41.4957 179.2640 37 K 2.8178 7.6394 119.8129 59.4554 31.9196 179.0093 38 T 3.7820 7.3658 115.6924 66.5861 68.4189 176.4654 39 L 3.9790 7.7831 120.8996 58.2431 41.6712 179.1697 40 Y 4.2614 8.2360 119.4759 60.3258 38.6220 177.5916 41 K 3.7754 8.3361 120.9450 59.7299 32.4686 178.6302 42 L 4.0383 8.3036 119.4116 57.9202 41.4104 179.9935 43 S 4.7318 8.2941 116.1454 61.1722 62.6825 176.3941 44 A 3.8156 7.8898 122.3132 55.1565 18.1058 179.5499 45 K 4.0499 8.1359 116.0206 57.7224 32.2244 178.2229 46 G 3.9820 7.9185 106.2242 45.2242 0.0000 174.5773 47 Y 4.4836 8.0525 117.4208 60.3988 39.1589 175.5818 48 I 4.6069 7.8484 119.9555 60.4449 38.6751 176.3703 49 T 4.2155 8.8819 123.6348 65.5123 69.8206 174.2155 50 A 4.2087 7.4025 121.4796 51.1180 22.1478 174.6027 *52 G 4.1970 8.6404 103.1112 45.9073 0.0000 172.6968 53 G 4.0897 8.5965 110.7315 44.8814 0.0000 172.3773 54 V 4.3155 8.3921 120.2151 62.6193 31.7611 175.3489 55 I 4.3378 8.4765 128.5815 62.9522 38.7914 176.1137 56 S 4.6846 7.2736 114.2254 57.1384 65.8045 173.1803 57 T 4.7094 8.4015 115.4552 59.9648 71.1910 173.1010 58 G 4.2025 8.3713 112.8086 43.5402 0.0000 172.4073 59 K 4.1294 8.6031 117.5001 58.4799 32.3739 178.0449 60 E 4.6878 8.1387 116.8668 57.0270 32.4570 175.8822 61 A 5.0084 7.6177 118.6033 50.5181 23.1761 174.8133 62 N 5.0829 9.1010 116.5782 51.2601 42.8346 173.8088 63 V 4.7528 8.1563 122.5482 61.0675 34.5797 174.3367 64 F 5.3191 9.0719 125.2959 55.7401 43.2319 173.4928 65 Y 4.6854 9.1364 122.5122 57.1979 39.5676 174.5877 66 A 4.8038 6.9891 125.2733 50.3451 22.6870 175.1652 67 D 4.5782 8.9894 120.5333 54.1158 42.9941 176.6648 68 G 4.2182 8.3725 107.1324 46.0457 0.0000 171.3245 69 V 5.0133 8.7136 119.5371 61.1635 35.2542 175.8786 70 F 4.6687 8.9874 129.1335 57.7271 42.2550 173.7006 71 D 4.1022 8.8737 126.9650 55.1538 39.2876 174.1034 72 G 3.9030 8.7038 103.3868 44.7895 0.0000 173.8080 73 K 4.6714 7.6397 117.7265 53.7334 35.7621 173.8901 74 P 4.9260 0.0000 0.0000 63.2889 32.2322 175.7276 75 V 4.6987 8.8442 114.2479 59.8807 36.7266 174.6761 76 A 4.5755 8.5532 123.9082 50.8155 21.4532 175.8206 *78 A 4.4989 8.2225 119.6662 52.0914 19.9628 176.7218 79 V 4.3633 8.9823 123.1676 61.2288 33.3455 173.9781 80 K 4.8111 8.9475 130.5902 55.0897 34.0532 175.2035 81 I 5.0975 8.7368 127.8126 59.7430 40.6781 174.2107 82 Y 4.7218 9.0250 125.9514 57.3999 38.6343 176.0116 83 R 4.0885 8.9889 124.0065 56.4709 31.0276 176.8957 84 I 4.0995 8.3460 124.6207 60.0434 37.2009 174.8000 *93 D 5.1224 8.4142 125.9451 54.3742 42.8143 178.0293 94 E 3.9641 8.4267 117.1161 59.6024 29.3482 177.6861 95 Y 4.6151 7.8976 112.8663 58.6171 38.9370 175.6776 96 L 4.4582 8.1159 121.0178 56.7149 43.4417 175.5109 97 Y 4.2801 8.4760 117.1290 58.5350 38.2360 174.9922 98 G 3.7673 8.9412 113.8317 45.5799 0.0000 172.3395 99 D 4.8407 8.1686 122.8341 53.4148 40.1880 177.0884 100 E 4.3232 8.5630 122.2329 57.0979 30.2237 175.8652 101 R 3.9323 7.7426 116.7242 59.2219 30.8214 176.8479 102 F 4.8538 7.4616 117.2483 56.5183 39.9223 175.0344 *110 K 4.2029 8.3248 120.6066 57.5026 34.3317 177.1224 111 E 4.0411 7.5888 117.3656 55.0791 29.9698 177.7172 112 K 3.8203 7.9347 121.2885 59.7848 32.0895 178.5005 113 V 3.6025 7.5542 117.7960 65.8788 31.5126 177.9108 114 F 4.5752 8.0025 117.2141 60.6295 38.8590 177.4476 115 I 3.6395 7.6176 119.5438 64.1235 36.8672 178.0835 116 W 3.7060 8.0980 129.0244 60.7297 30.2838 178.0125 117 T 3.7968 8.0393 115.5179 66.7311 67.9257 176.2777 118 E 3.0199 8.0272 121.1040 58.5813 29.4748 178.6450 119 K 3.7608 7.8701 120.2050 59.3639 32.1144 178.3553 120 E 3.6639 7.8600 119.6233 59.0167 29.4507 178.5392 121 F 4.0163 7.8182 120.1458 61.4335 39.4555 177.2897 122 R 3.8750 8.6191 117.9622 59.2724 29.8177 178.9189 123 N 4.2453 8.3783 116.5706 56.1458 38.4675 177.2832 124 L 3.8322 7.9863 120.7068 57.9417 41.7460 179.4131 125 E 3.7315 7.8527 118.3744 59.3560 29.4366 179.5860 126 R 3.7989 8.0865 118.4245 59.2531 30.2122 178.3198 127 A 3.9272 8.3208 120.9829 55.0633 18.3158 179.5118 128 K 3.9576 8.1704 118.3342 59.6767 32.0603 178.5380 129 E 3.8859 8.0267 118.1552 59.0992 29.6067 177.8495 130 A 4.3166 7.6498 117.5211 52.1434 18.5176 177.9845 131 G 3.7729 7.9806 106.1502 45.4851 0.0000 174.1464 132 V 3.6996 7.3638 119.3156 62.4141 32.4801 176.4216 133 S 4.2779 8.7596 122.6448 57.7588 62.1038 173.0257 134 V 5.0904 7.8564 118.7220 58.2277 35.6127 173.9684 135 P 4.3064 0.0000 0.0000 62.3395 31.6459 176.3673 136 Q 3.7482 8.7367 124.1805 55.8976 29.1574 174.6543 137 P 4.1668 0.0000 0.0000 62.6777 31.9158 174.6700 138 Y 4.1524 8.3901 118.9962 59.0345 39.3979 175.9210 139 T 4.3343 7.4176 111.1309 61.4983 70.5878 171.2357 140 Y 5.1767 6.7431 119.2200 55.3784 41.7395 174.9484 *142 K 3.3149 8.1462 120.3257 56.5281 32.9366 176.3205 143 N 5.2399 8.8066 127.4606 52.8979 38.6546 172.7513 144 V 4.7776 7.6402 120.6214 61.4016 33.8873 173.8844 145 L 5.0446 9.4022 129.9387 53.2599 44.9862 174.9086 146 L 5.1205 8.8799 125.4158 52.8522 45.2969 175.0555 *148 E 4.3530 8.5160 121.5271 55.9080 30.5974 174.8695 149 F 4.3103 9.1075 130.1380 58.1621 40.4186 174.6568 150 I 3.7144 8.7090 127.4721 61.3319 37.1430 175.7050 151 G 3.7606 6.9830 113.2685 44.8469 0.0000 170.1162 152 E 4.7943 8.1224 117.6928 55.5298 33.9288 175.0470 153 D 4.4358 9.7347 118.9095 55.8042 38.2500 174.3843 154 E 2.6179 7.7851 113.2328 56.3061 27.8742 174.8209 155 L 4.5292 7.7401 122.4147 52.6775 41.9537 173.7167 156 P 4.5701 0.0000 0.0000 62.1092 31.8410 176.6213 157 A 4.2034 8.4065 126.8731 51.5101 18.9275 175.7047 158 P 4.7401 0.0000 0.0000 62.6958 32.5163 176.4552 159 T 4.3780 9.0314 112.2507 61.0122 70.0198 175.6589 160 L 3.9106 8.3261 122.5318 57.7776 41.1352 180.3998 161 V 3.5094 7.2098 118.1189 64.7729 31.4251 177.9071 162 E 4.1014 7.5205 117.8357 58.6765 29.6754 178.8548 163 L 4.1445 8.3861 119.7574 55.4105 42.0363 180.9726 164 G 4.0288 8.5973 105.2753 46.2229 0.0000 175.6696 165 R 4.0594 9.1789 124.1077 59.1509 30.2238 177.0563 166 E 4.1197 8.1944 117.4269 58.4965 29.3779 179.1196 167 L 3.9147 7.9041 119.7921 57.4174 41.3739 178.9345 168 K 4.2718 8.1029 116.7253 57.9744 32.1406 177.9385 169 E 4.4846 7.8264 117.7702 55.3395 29.8456 175.1676 170 L 4.8283 7.1557 118.6337 52.4354 45.2332 177.5557 171 D 4.6584 8.1792 119.7793 53.4896 38.8829 176.5877 172 V 3.6538 7.8252 124.6327 64.0523 31.7951 177.9409 173 E 4.1209 8.2523 120.0147 58.8854 29.5300 178.7396 174 G 3.5825 8.1872 105.7555 47.7162 0.0000 175.7947 175 I 3.7190 8.0519 122.6226 63.9647 37.0528 177.9784 176 F 3.0259 7.8478 121.4029 61.2984 39.0785 176.7921 177 N 4.0062 8.3049 115.9180 56.2887 38.3295 176.8423 178 D 4.1809 8.0434 119.2620 57.2422 41.3175 178.3554 179 V 3.7483 7.8268 118.9160 66.1314 31.4552 178.0717 180 V 3.3810 7.4400 117.9739 65.9732 31.3199 177.3462 181 E 3.8235 8.4934 119.2848 59.5465 29.3044 178.7057 182 N 4.1597 8.0508 116.3684 56.1265 38.5595 177.6010 183 V 3.8015 8.1901 119.8372 65.7230 31.5474 177.9370 184 K 3.9191 8.3449 119.6722 59.7756 32.0542 179.0314 185 R 3.9665 8.0853 118.2656 59.0160 29.9067 178.8162 186 L 3.9560 8.1383 120.2562 58.2689 42.1341 178.5408 187 Y 4.1635 8.0487 120.6152 60.4724 38.6449 177.6901 188 Q 4.0865 8.5491 117.8787 58.1900 29.0370 176.8629 189 E 4.3198 8.3083 117.9949 57.5658 30.7289 177.1586 190 A 4.0984 7.9622 119.8794 52.4420 19.6702 176.6359 191 E 4.2958 7.8533 114.2073 56.7694 26.7309 173.8220 192 L 5.1278 8.2482 117.2119 52.8049 45.7985 176.3633 193 V 4.7287 8.7098 120.7291 61.1644 33.7669 175.4716 194 H 3.7277 9.0929 127.2512 59.6101 29.5837 176.6187 195 A 3.9613 9.5594 118.7563 52.3113 17.2417 177.7484 196 D 4.6133 7.4400 115.0362 52.6988 41.4189 174.8018 197 L 3.8677 8.0543 121.0453 54.1254 42.5004 175.5007 198 S 4.5119 7.9647 119.1857 57.1487 65.4020 175.1780 199 E 3.3475 8.3677 118.1686 59.1240 28.7473 177.9978 200 Y 4.0408 7.7810 116.2706 59.8424 38.2760 175.8796 201 N 5.0211 8.3793 117.6307 52.8144 39.7808 173.6300 202 I 5.1511 7.2569 117.8433 58.3435 40.9682 173.5726 *204 Y 4.8046 8.1267 120.9169 57.7973 39.0523 174.6273 205 I 3.8296 7.8477 127.5546 60.7866 39.0038 174.1386 206 D 4.6592 8.4008 129.2310 54.8476 40.2918 174.1768 207 K 4.6164 6.6295 115.2750 55.4899 35.3534 175.3736 208 V 4.4780 8.5102 113.3822 61.2979 32.4777 175.5794 209 Y 4.8834 8.3364 118.0276 56.4704 41.9270 174.5784 210 F 5.3259 9.0066 122.8257 56.8041 40.5245 174.9242 211 I 4.6705 8.1735 114.8885 60.0175 41.3461 170.4147 212 D 4.9181 8.1925 127.9736 54.6210 41.3150 173.4264 *214 G 3.1597 8.6567 115.0382 45.1616 0.0000 173.3616 215 Q 3.7116 7.5462 114.8839 56.6585 29.2741 175.9107 216 A 4.6333 7.3280 121.1650 51.8627 19.0965 177.1109 217 V 4.8114 8.4662 114.7841 59.4907 35.9343 175.5017 218 T 5.0157 7.7933 113.0836 60.3118 70.4665 175.4452 219 L 4.2768 8.4337 119.7542 56.0398 41.6465 178.3117 220 R 4.2334 7.6213 117.2546 57.3214 30.6367 176.5903 221 H 4.5150 7.9256 117.9466 54.9904 30.1868 175.2046 222 P 4.3362 0.0000 0.0000 62.4315 30.7876 177.6166 *224 A 4.5311 8.2353 122.0683 52.3757 20.7615 179.4820 225 E 4.0320 8.2458 115.8039 59.5160 29.7046 178.9935 226 S 4.1728 7.9232 113.7510 61.6316 62.9823 175.6295 227 Y 4.5442 7.7918 119.9844 60.9705 37.7043 178.4235 228 L 4.0611 8.2403 120.9364 58.3475 42.1702 178.8270 229 E 4.2458 8.2839 118.3713 59.4678 29.4349 179.3708 230 R 3.9931 8.2211 118.7755 59.4186 30.1772 178.1715 231 D 4.3746 8.4919 118.9364 57.7234 40.9058 179.2825 232 V 3.7489 8.3995 113.0490 64.6198 31.4437 178.8674 233 R 4.1458 8.7096 118.2069 59.3729 29.7860 178.9023 234 N 4.4512 8.3269 116.2757 56.2974 38.4687 177.5346 235 I 4.0285 7.9369 121.1290 64.5861 37.3110 178.1736 236 I 3.9187 7.9998 120.6541 64.7243 36.8328 178.1846 237 R 3.9070 8.1424 117.7972 59.5321 30.1296 177.8693 238 F 4.3054 8.6393 120.5086 61.5649 39.4556 177.1408 239 F 4.1778 8.8162 117.2876 59.8825 38.4726 177.6595 240 S 4.4308 7.8500 114.5630 60.1416 62.8722 175.8432 241 K 3.9926 7.4312 120.3418 57.4918 31.8689 176.7917 242 Y 4.4224 7.7438 115.6070 57.5364 38.8631 176.2496 243 G 3.8512 8.5330 107.3356 45.1142 0.0000 173.7864 244 V 3.8736 7.5674 120.1815 61.1235 31.5879 174.7664 245 K 4.5084 8.3103 127.3862 55.1999 32.9185 176.2061 246 A 4.6224 8.1177 125.0335 50.9896 22.2944 174.5083 247 D 4.9894 8.4662 119.5552 52.2544 42.9365 177.1715 248 F 4.2334 9.3537 126.9433 61.5603 39.7836 176.1175 249 E 3.9010 8.4270 120.5217 59.2121 29.8709 178.1184 250 E 3.9568 7.8219 114.6373 56.9857 29.3572 177.6704 *252 L 3.9885 7.9777 120.9843 54.5552 43.8466 179.0170 253 K 3.9046 7.7437 117.6482 59.2899 31.6518 178.9173 254 E 3.7536 7.9194 118.7174 59.1693 29.5633 178.8912 255 V 3.6657 7.3950 116.8060 65.8156 31.9398 177.5696 256 K 3.6559 7.6405 115.2559 56.0341 32.3846 176.7963 257 G 3.7991 8.1228 106.5961 47.0987 0.0000 173.5368 258 E 4.2484 8.7291 124.5244 56.1210 29.9684 176.3732 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 2 K 8.27 4.32 0.00 1.70 1.89 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 3 D 8.19 4.32 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.21 4.36 0.00 1.69 1.76 0.93 0.79 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 5 K 8.02 4.05 0.00 1.76 1.81 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.07 7.81 6 K 8.23 4.16 0.00 1.75 1.85 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.36 7.81 7 I 7.78 4.01 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.67 0.96 0.00 0.00 8 E 8.16 3.94 0.00 2.12 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 2.52 2.46 0.00 9 S 7.99 3.92 0.00 3.84 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 0.00 10 Y 7.80 3.86 0.00 3.15 2.90 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 11 L 8.26 3.94 0.00 1.94 1.66 0.84 1.44 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 12 D 8.26 4.28 0.00 2.74 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 13 K 7.72 3.86 0.00 1.30 0.86 0.00 0.84 0.00 0.00 0.96 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.15 1.25 7.81 14 L 8.21 4.22 0.00 1.53 1.66 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.51 3.66 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 16 I 7.82 3.98 1.58 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.01 0.43 0.00 0.00 17 K 9.14 4.57 0.00 1.86 1.68 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.35 7.81 18 E 8.97 3.93 0.00 1.94 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 2.31 2.27 0.00 19 K 7.89 4.16 0.00 1.86 1.94 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.46 7.81 20 D 8.31 4.67 0.00 2.83 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 21 G 7.64 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 22 E 8.65 4.37 0.00 2.07 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 2.40 2.42 0.00 23 E 7.94 4.19 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 24 R 8.07 3.92 0.00 1.85 1.95 0.00 3.36 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 25 K 8.07 4.07 0.00 1.95 1.83 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.63 7.81 26 I 8.22 3.74 2.01 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 0.59 0.95 0.00 0.00 27 Y 8.84 4.11 0.00 3.25 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 28 A 7.96 4.12 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 29 E 7.93 4.11 0.00 2.08 2.13 0.00 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0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.57 7.81 38 T 7.37 3.78 4.35 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 1.13 0.00 0.00 39 L 7.78 3.98 0.00 1.84 1.75 0.86 0.69 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 40 Y 8.24 4.26 0.00 3.05 3.10 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 41 K 8.34 3.78 0.00 2.02 1.91 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.51 7.81 42 L 8.30 4.04 0.00 1.93 1.76 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.29 4.73 0.00 3.91 3.88 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 44 A 7.89 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.14 4.05 0.00 1.81 1.86 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.65 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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 0.00 1.30 0.87 0.94 0.00 0.00 56 S 7.27 4.68 0.00 3.77 3.48 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 57 T 8.40 4.71 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 1.08 0.00 0.00 58 G 8.37 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.60 4.13 0.00 1.73 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 60 E 8.14 4.69 0.00 1.94 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 2.25 2.25 0.00 61 A 7.62 5.01 0.75 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 62 N 9.10 5.08 0.00 2.71 2.26 0.00 0.00 6.66 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 63 V 8.16 4.75 1.91 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 0.91 0.00 0.00 0.79 0.00 0.00 64 F 9.07 5.32 0.00 2.99 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 65 Y 9.14 4.69 0.00 2.90 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 66 A 6.99 4.80 1.10 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 67 D 8.99 4.58 0.00 2.65 2.62 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 68 G 8.37 4.22 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 0.00 69 V 8.71 5.01 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 0.84 0.00 0.00 0.90 0.00 0.00 70 F 8.99 4.67 0.00 2.54 2.35 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 71 D 8.87 4.10 0.00 1.64 2.32 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 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0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.62 3.87 0.00 2.15 2.00 0.00 3.51 0.00 0.00 3.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 123 N 8.38 4.25 0.00 2.79 2.75 0.00 0.00 6.99 6.86 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 0.00 124 L 7.99 3.83 0.00 1.68 1.43 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.85 3.73 0.00 1.93 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 1.60 2.11 0.00 126 R 8.09 3.80 0.00 1.97 1.96 0.00 3.06 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 127 A 8.32 3.93 1.32 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 0.00 128 K 8.17 3.96 0.00 1.89 1.73 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.45 7.81 129 E 8.03 3.89 0.00 2.08 2.07 0.00 0.00 0.00 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0.00 1.98 1.94 0.00 3.84 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.42 0.00 157 A 8.41 4.20 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 0.00 158 P 0.00 4.74 0.00 2.11 2.08 0.00 3.95 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 2.19 2.03 0.00 159 T 9.03 4.38 4.31 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 1.25 0.00 0.00 160 L 8.33 3.91 0.00 1.19 1.54 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 161 V 7.21 3.51 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 0.42 0.00 0.00 0.54 0.00 0.00 162 E 7.52 4.10 0.00 2.16 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 2.33 2.29 0.00 163 L 8.39 4.14 0.00 1.82 1.67 0.88 1.09 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 0.00 164 G 8.60 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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2.02 1.73 0.00 216 A 7.33 4.63 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 0.00 217 V 8.47 4.81 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 0.89 0.00 0.00 1.17 0.00 0.00 218 T 7.79 5.02 4.22 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 1.21 0.00 0.00 219 L 8.43 4.28 0.00 1.52 1.66 0.81 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 220 R 7.62 4.23 0.00 1.82 1.98 0.00 3.15 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 221 H 7.93 4.52 0.00 3.22 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 P 0.00 4.34 0.00 2.03 2.03 0.00 3.37 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 *224 A 8.24 4.53 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 0.00 225 E 8.25 4.03 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 226 S 7.92 4.17 0.00 4.09 4.05 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 0.00 0.00 0.00 227 Y 7.79 4.54 0.00 3.29 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 0.00 228 L 8.24 4.06 0.00 2.01 1.92 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 229 E 8.28 4.25 0.00 2.36 2.28 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 2.54 2.56 0.00 230 R 8.22 3.99 0.00 2.13 2.26 0.00 3.19 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 231 D 8.49 4.37 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 V 8.40 3.75 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 0.77 0.00 0.00 1.08 0.00 0.00 233 R 8.71 4.15 0.00 1.92 2.04 0.00 3.04 0.00 0.00 2.87 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.00 234 N 8.33 4.45 0.00 3.07 2.93 0.00 0.00 7.00 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 0.00 235 I 7.94 4.03 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.97 1.25 0.00 0.00 236 I 8.00 3.92 2.15 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.82 1.02 0.00 0.00 237 R 8.14 3.91 0.00 1.94 2.29 0.00 3.34 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 238 F 8.64 4.31 0.00 3.31 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 0.00 239 F 8.82 4.18 0.00 3.30 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 0.00 240 S 7.85 4.43 0.00 4.00 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 0.00 241 K 7.43 3.99 0.00 1.18 1.24 0.00 1.43 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.47 7.81 242 Y 7.74 4.42 0.00 2.86 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 0.00 243 G 8.53 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 V 7.57 3.87 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 0.23 0.00 0.00 1.01 0.00 0.00 245 K 8.31 4.51 0.00 1.72 1.68 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.33 7.81 246 A 8.12 4.62 1.07 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 0.00 0.00 247 D 8.47 4.99 0.00 2.77 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 0.00 248 F 9.35 4.23 0.00 2.96 3.15 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 0.00 249 E 8.43 3.90 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 250 E 7.82 3.96 0.00 2.10 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 2.31 2.24 0.00 *252 L 7.98 3.99 0.00 1.09 1.20 0.72 0.37 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 0.00 253 K 7.74 3.90 0.00 2.05 1.78 0.00 1.81 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.36 7.81 254 E 7.92 3.75 0.00 1.97 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 2.26 2.27 0.00 255 V 7.39 3.67 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 0.69 0.00 0.00 0.85 0.00 0.00 256 K 7.64 3.66 0.00 1.66 1.77 0.00 1.61 0.00 0.00 1.52 0.00 0.00 3.27 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 1.02 7.81 257 G 8.12 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 0.00 258 E 8.73 4.25 0.00 1.83 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 2.22 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.