NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1580 8.3144 121.7979 56.1371 33.2445 175.4525 3 D 4.4966 8.6103 125.8579 53.1574 40.1203 173.7552 4 L 4.1330 8.9770 128.0501 54.2638 43.0817 177.5363 5 K 4.2426 8.6082 123.9494 57.7234 33.1088 177.6060 6 K 4.7083 7.5195 120.3176 52.2097 34.5624 182.0501 7 I 4.0655 8.5464 123.9261 64.2126 36.9997 178.6533 8 E 4.0398 8.1502 118.7469 59.3164 29.2991 179.3507 9 S 4.1389 7.8404 114.9999 61.6413 62.6910 176.3239 10 Y 3.9020 7.5362 118.9520 60.9892 37.7470 178.1473 11 L 3.9055 7.9861 119.9392 57.9036 41.7735 179.3792 12 D 4.2925 8.0291 118.7701 57.3552 40.5359 179.0223 13 K 3.9331 7.6419 117.8105 58.8553 32.0412 178.4469 14 L 4.3262 7.4114 116.2640 53.9916 41.8558 176.9367 15 R 3.7667 7.3901 116.3695 57.1214 27.8629 176.3315 16 I 3.8789 7.6213 122.2691 60.7420 36.7783 176.6732 17 K 4.1886 8.5425 130.7035 54.2405 32.2912 174.9912 18 E 3.6398 9.1325 123.2007 58.7070 29.8621 175.9935 19 K 4.1047 8.3499 118.6050 58.1762 31.9392 181.2063 20 D 4.7950 8.9780 123.1526 52.9552 39.0419 177.2582 21 G 3.6609 8.3152 112.6149 48.3646 0.0000 172.6424 22 E 4.0293 8.2630 120.4076 60.9842 29.6240 180.3740 23 E 4.3775 8.3099 118.6685 59.6112 29.6811 179.5655 24 R 4.0239 8.3637 120.2326 60.0913 30.2482 179.8301 25 K 4.0515 8.4759 123.4498 59.8713 31.6615 180.8970 26 I 3.9015 8.1489 121.4958 64.5137 37.1045 177.8254 27 Y 4.0411 8.5641 117.5658 61.5057 37.5817 179.1596 28 A 4.1266 8.0644 119.8310 54.7689 18.4936 178.9772 29 E 4.0936 7.9535 117.3769 59.1772 29.9537 178.6416 30 V 3.9760 8.1881 110.7368 61.2555 32.3987 176.0551 31 L 4.7418 7.3715 118.6726 52.7999 43.7707 176.5691 32 D 4.8740 8.3581 122.7091 52.2057 42.3429 177.8416 33 G 3.5356 8.4485 105.9946 48.0326 0.0000 176.0947 34 R 3.9147 7.9022 119.7938 59.2009 30.1078 179.1796 35 T 3.9080 7.8728 115.8691 66.5382 68.4018 176.7671 36 L 3.8462 7.8560 120.9791 57.6270 41.4851 179.3821 37 K 3.8992 7.7017 119.6930 59.8429 31.9443 178.9485 38 T 3.8416 7.6893 115.7563 66.6908 68.4182 176.7391 39 L 4.0211 8.0800 120.9284 57.7192 41.5839 178.9923 40 Y 4.3407 8.4358 120.0322 60.5738 38.7428 177.6500 41 K 3.6124 8.3361 120.9626 59.7754 32.1373 178.6296 42 L 4.1001 8.1920 119.1279 57.6501 41.4835 179.4950 43 S 4.5696 8.9593 114.6109 61.0571 62.2289 176.1768 44 A 4.0238 8.2857 122.2421 55.0544 18.1549 179.5164 45 K 4.0255 8.0491 116.1653 57.7438 32.1731 177.9874 46 G 3.9834 7.7569 105.2775 45.4182 0.0000 174.6716 47 Y 4.5326 8.2440 118.1329 60.6046 39.1444 175.7948 48 I 4.6022 7.8401 120.3183 60.3418 39.0528 176.3523 49 T 4.0737 9.2826 124.7881 65.6407 68.8632 174.3562 50 A 4.2727 7.4742 125.3143 50.6748 22.4768 172.8821 *52 G 4.1415 8.7318 102.8359 45.7171 0.0000 172.9105 53 G 3.9472 8.6012 110.0220 46.2563 0.0000 172.6335 54 V 4.1966 8.5059 122.2580 63.0040 31.5868 175.4876 55 I 4.3127 8.8709 129.4898 62.9737 38.7608 176.3687 56 S 4.6639 7.3910 115.0905 56.9155 65.9807 172.9221 57 T 5.1807 7.9366 116.2061 59.0383 70.7820 173.1362 58 G 4.2245 8.6156 114.8835 43.3757 0.0000 172.0181 59 K 4.1302 8.6894 117.6632 58.4166 32.3472 177.8769 60 E 4.6858 8.2148 115.4498 56.6768 32.4070 175.9227 61 A 5.0710 7.7461 119.5770 50.0656 23.4965 174.5662 62 N 5.2530 8.9768 116.0931 51.2863 42.7297 173.9277 63 V 4.6766 8.2398 121.8636 61.0809 34.9678 174.3342 64 F 5.4019 8.8270 124.7291 55.7589 43.4141 173.4940 65 Y 4.6335 9.1830 122.9861 57.5870 39.4022 174.5381 66 A 4.7615 7.0691 125.2189 50.5064 22.8618 175.0261 67 D 4.6925 8.7907 120.2750 53.7704 42.8389 176.5016 68 G 4.1320 8.9120 108.9514 45.6010 0.0000 170.6862 69 V 4.9625 8.4953 119.2187 61.2393 34.5681 175.7536 70 F 4.8216 9.0240 129.3535 57.6975 42.2376 173.9505 71 D 3.6648 8.8017 125.7654 55.2336 38.0931 175.0687 72 G 3.8929 8.3127 106.4106 45.1289 0.0000 174.1621 73 K 4.6590 7.3862 118.6126 53.8184 35.2447 173.7692 74 P 4.9445 0.0000 0.0000 63.1207 31.9820 176.1722 75 V 4.6826 8.7513 115.4393 59.7838 36.6573 174.7762 76 A 4.5606 8.6029 124.3169 51.0537 21.0178 175.9716 *78 A 4.6437 8.2313 119.7917 52.0323 20.0605 176.4501 79 V 4.4377 9.2130 122.9427 61.1879 33.7701 174.1013 80 K 4.9746 8.9324 130.4651 54.8736 34.2255 174.9412 81 I 5.0839 8.8305 128.0665 59.7095 40.3548 174.2199 82 Y 4.6772 8.7784 125.7677 57.2101 38.6486 175.9942 83 R 4.1231 8.8698 124.6441 56.4059 30.8800 176.6470 84 I 3.8869 8.5115 120.5088 60.6135 37.9507 175.7333 *93 D 4.7731 8.5775 124.4227 53.0236 41.7870 174.6521 94 E 4.0766 8.1563 116.2152 58.5355 29.5460 177.2077 95 Y 4.5505 7.9079 114.9857 58.4106 38.4471 175.6335 96 L 4.2732 7.4613 122.4245 56.4843 42.7475 175.2438 *97 Y 4.3197 7.8182 129.1358 59.8776 36.4865 178.1156 98 G 4.2578 8.2051 125.2552 45.7031 0.0000 171.9160 99 D 4.4555 7.5478 121.5483 56.1955 41.4504 177.6617 *110 K 4.2164 7.6626 118.9915 56.2600 34.6130 176.3221 111 E 4.1003 7.6883 116.2618 55.4593 30.8177 177.3592 112 K 3.9599 7.8613 121.6008 59.4299 32.2051 178.7520 113 V 3.6094 7.5306 119.0114 64.9400 31.0913 178.2982 114 F 4.8263 7.5796 118.4670 60.4515 38.6487 177.8092 115 I 3.8159 7.8777 119.2350 63.9262 37.0299 177.9135 116 W 3.9978 8.6596 129.7282 60.8120 30.3554 178.1806 117 T 3.8971 8.1150 115.5059 66.6195 67.9254 176.1829 118 E 3.0572 8.3151 121.3225 58.9923 29.5374 178.8297 119 K 3.7939 8.1342 119.9045 59.2708 32.1573 178.4821 120 E 3.6318 7.8290 119.6251 58.9385 29.5884 178.2999 121 F 3.9369 8.1373 120.8501 61.6269 39.4038 177.4522 122 R 3.8043 8.2746 117.7818 59.0023 29.6665 178.9166 123 N 4.1990 8.3340 116.8550 56.2513 38.5737 177.3995 124 L 3.8618 7.7721 120.3312 57.7474 41.5782 179.4385 125 E 3.7456 7.7331 118.4244 59.2798 29.3192 179.4805 126 R 3.7743 7.8661 118.4283 59.2229 30.0964 178.3470 127 A 3.9209 8.1398 120.8933 55.0880 18.4048 179.4674 128 K 3.9354 8.4183 118.4435 59.8516 32.0360 178.9010 129 E 4.0145 8.2777 117.7444 58.9574 29.4628 178.4290 130 A 4.2456 7.5234 118.4193 52.5175 18.5907 178.1950 131 G 3.7776 7.6853 105.5071 45.2221 0.0000 173.9588 132 V 3.7209 7.5224 119.3142 62.4049 32.4916 176.6239 133 S 4.2666 9.3456 122.6709 57.7457 61.8368 173.0149 134 V 5.1158 7.7974 118.1604 58.2451 35.8185 173.6692 135 P 4.3179 0.0000 0.0000 62.1426 31.7549 176.5486 136 Q 3.9113 8.4537 124.2824 55.2204 29.2337 174.3771 137 P 4.1902 0.0000 0.0000 63.0025 31.7174 174.4866 138 Y 4.1245 8.6474 118.0232 59.0179 39.8959 176.1181 139 T 4.2312 7.3436 110.9816 61.4356 70.6545 170.8209 140 Y 5.2554 6.7768 118.3986 55.2020 41.4119 175.1254 *142 K 3.7054 7.9916 119.6646 56.8987 33.1272 175.9318 143 N 5.3870 8.9976 126.3646 53.0903 38.7830 172.6014 144 V 4.9598 7.8866 119.8621 61.5215 34.2098 173.8031 145 L 5.2881 9.1453 130.0865 53.3338 44.7134 174.9185 146 L 5.1428 9.0627 125.5273 52.8859 45.1483 175.0617 *148 E 4.2950 8.4943 121.3003 56.0036 30.6490 174.8805 149 F 4.2627 8.8638 129.1281 57.6255 40.2627 174.6966 150 I 3.9577 8.0561 128.8584 60.2630 37.8442 175.2538 151 G 3.5887 7.2887 113.9194 45.7107 0.0000 170.1517 152 E 4.7669 7.3488 115.9954 55.7874 32.6316 174.7024 153 D 4.3808 9.2052 117.5735 55.9108 37.9433 174.5453 154 E 2.8108 8.3026 114.6197 56.4442 27.2612 174.2285 155 L 4.8969 7.5272 119.5810 52.0178 43.7384 174.3833 156 P 4.3081 0.0000 0.0000 62.2366 32.1814 175.9608 157 A 4.2247 8.2133 123.9284 51.5424 18.9075 175.9200 158 P 4.7088 0.0000 0.0000 62.8084 32.4267 176.5141 159 T 4.4111 9.0376 112.5637 61.0446 69.9802 175.6072 160 L 3.8772 8.7413 122.9256 57.8707 41.1338 180.4279 161 V 3.5717 6.9804 118.3952 64.6119 31.4180 178.1064 162 E 4.0688 7.4832 118.0550 58.8662 29.6182 178.6714 163 L 4.1314 8.2754 119.5752 55.7776 42.0721 180.9861 164 G 3.9175 8.7588 105.8114 46.2886 0.0000 175.5775 165 R 4.0046 9.1436 125.0059 59.2340 30.0694 175.7679 166 E 4.1119 8.2417 118.2752 58.1888 29.6289 178.3970 167 L 3.7736 7.7503 119.1075 57.8271 41.3168 178.8955 168 K 4.2652 7.9860 116.7407 57.9929 32.0528 177.2278 169 E 4.4636 8.1373 117.8231 56.0062 30.3980 175.5214 170 L 4.7080 7.3342 118.5361 52.7907 44.6198 177.5408 171 D 4.6464 8.1382 119.7262 53.2497 38.4704 176.2225 172 V 3.7661 7.8873 123.4160 65.6521 31.9117 176.5837 173 E 4.1148 8.2650 118.6958 59.1151 29.5172 178.7924 174 G 3.7793 8.2274 106.7055 47.2791 0.0000 175.6178 175 I 3.7795 7.9701 122.3054 63.9858 37.0929 178.1064 176 F 3.1578 8.4700 121.8699 61.3320 39.1576 176.9981 177 N 4.2030 8.8019 116.1211 56.1022 38.2163 177.0457 178 D 4.2089 8.1362 119.7674 57.2500 41.3093 178.3862 179 V 3.6892 7.9313 119.1121 65.9876 31.4783 178.1322 180 V 3.3447 7.6830 118.3601 65.8806 31.3218 177.6442 181 E 3.8667 8.0899 119.0259 59.3485 29.4673 178.5878 182 N 4.2756 8.0412 116.6400 56.1213 38.4682 177.6264 183 V 3.8253 8.1883 120.0078 65.6479 31.5891 178.1411 184 K 3.9178 8.1146 119.5208 59.6296 32.1190 178.9257 185 R 3.9509 8.4120 118.7416 59.3578 29.9987 178.8526 186 L 4.0254 8.1235 119.9998 58.1670 41.9429 178.4706 187 Y 4.0666 8.2258 119.6059 60.6235 38.6231 177.2636 188 Q 4.1949 8.6382 117.4420 57.0554 29.3375 176.4446 189 E 4.3723 8.4122 118.2662 57.1669 31.0609 176.8291 190 A 4.2634 7.9295 118.9361 51.6481 20.2157 176.3045 191 E 3.8451 7.9241 114.0734 56.3327 27.0206 173.7755 192 L 5.2324 8.3354 115.8252 52.9355 46.2674 176.5456 193 V 4.4952 8.6876 120.1982 61.2022 33.6754 175.9386 194 H 3.8157 9.0221 126.9302 59.0970 29.8178 176.8473 195 A 3.8699 9.0263 118.3651 52.4456 17.3935 177.2665 196 D 4.6284 7.5466 114.7876 52.6694 41.3611 175.1886 197 L 3.9079 8.2139 121.5124 54.0446 42.7668 175.3239 198 S 4.5154 7.8199 119.4063 57.2561 65.5675 174.7213 199 E 3.6490 8.2472 117.0454 58.0956 29.1080 177.9676 200 Y 4.0938 7.7421 116.8875 59.4451 38.5348 175.8488 201 N 4.9987 8.2350 116.5197 52.6319 39.7152 173.5734 202 I 5.1646 7.1540 118.2228 58.4067 40.7159 173.6503 *204 Y 4.8462 8.0936 121.2181 57.7951 39.1897 174.7495 205 I 3.8057 7.8556 127.8251 61.2463 39.6195 174.4018 206 D 4.7298 8.3491 129.8906 54.6623 40.1601 174.2337 207 K 4.6518 6.7505 115.1550 55.2025 35.7835 175.3279 208 V 4.5038 8.4242 112.7595 61.0495 32.1779 175.5936 209 Y 4.8290 8.4138 118.6989 56.3618 41.7584 174.4085 210 F 5.3101 9.0352 122.8545 56.5069 40.6564 175.0172 211 I 4.6435 8.0167 115.4418 59.6827 41.2770 170.0008 212 D 4.4973 8.7259 129.5375 53.7293 41.5760 173.2891 *214 G 2.9154 8.6609 115.0318 44.9573 0.0000 173.3315 215 Q 3.6721 7.4175 115.1034 56.8170 29.2868 175.9717 216 A 4.4717 7.2362 120.8456 51.7777 19.1831 176.9470 217 V 4.7425 8.6521 114.1024 59.6045 36.3242 175.1886 218 T 4.7954 8.2147 111.3955 60.4788 70.4848 176.0410 219 L 4.0965 8.2333 121.6197 57.1283 41.6352 178.9296 220 R 4.1755 7.4690 116.8397 57.6131 30.5617 176.6221 221 H 4.0702 8.0028 118.0189 55.8761 30.0369 173.6904 222 P 4.0419 0.0000 0.0000 63.4777 31.7248 176.9008 *224 A 4.5083 8.0799 123.5396 52.2502 20.5556 179.5822 225 E 4.1012 8.0707 115.9355 59.2593 29.7381 178.8854 226 S 4.1662 7.8893 113.9571 61.6475 63.1934 175.7990 227 Y 4.5177 7.7912 119.9070 60.9641 37.6600 178.3525 228 L 4.1020 8.1648 121.2854 58.1860 42.2350 178.8141 229 E 4.2060 8.6363 118.9137 59.4039 29.4063 179.2347 230 R 3.9981 8.4517 118.9640 59.5414 30.1735 178.2808 231 D 4.3418 8.2832 118.5556 57.4630 40.8104 178.8470 232 V 3.6738 7.9243 118.5955 66.2634 31.4096 178.2644 233 R 4.1355 8.4480 117.7117 59.4905 29.9401 178.8667 234 N 4.4780 8.3916 116.3517 56.2054 38.5062 177.6269 235 I 4.0429 8.1057 121.2724 64.5927 37.3662 178.2201 236 I 3.9757 8.3695 120.9887 64.6701 36.8095 178.2715 237 R 3.9147 8.2526 118.1189 59.5162 30.1878 177.7826 238 F 4.3387 8.4771 120.2199 61.6626 39.3998 177.1925 239 F 4.2250 8.6902 116.9599 59.9749 38.7431 177.7610 240 S 4.3991 8.0938 115.5509 60.6001 62.4897 176.4417 241 K 3.8787 7.5737 120.7271 58.1367 31.6980 177.0690 242 Y 4.3723 7.9410 115.9625 57.4618 38.6126 176.8905 243 G 3.9831 7.9899 107.1900 45.2791 0.0000 173.9139 244 V 3.7508 7.6250 120.0123 61.8405 32.1958 174.7484 245 K 4.6666 8.2121 126.1809 54.5859 33.7973 175.4426 246 A 4.5460 8.0979 124.3795 51.2142 22.2387 174.7308 247 D 5.0402 8.3999 120.2806 52.1762 43.2470 177.2007 248 F 4.2553 9.2556 126.5004 61.4940 39.8629 175.8693 249 E 3.9420 8.5912 120.6579 59.3811 29.7274 178.5091 250 E 4.1680 7.7641 114.9764 56.8570 29.3342 177.7594 *252 L 3.9837 8.0076 120.9315 54.4551 43.8421 179.0324 253 K 4.1092 7.6149 117.3351 59.1331 32.0991 179.0571 254 E 3.8498 8.3641 120.0605 59.1840 29.8732 179.0274 255 V 3.4938 7.6497 116.8415 65.9861 31.5876 177.1662 256 K 3.6680 8.0981 116.9094 56.8183 31.9070 177.5974 257 G 3.9135 7.3793 106.1256 46.4802 0.0000 173.7610 258 E 4.1609 8.0708 124.7349 56.2121 29.5162 176.5825 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 8.31 4.16 0.00 1.80 1.93 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 3 D 8.61 4.50 0.00 2.81 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 4 L 8.98 4.13 0.00 0.27 0.98 0.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.61 4.24 0.00 1.72 1.87 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.36 7.81 6 K 7.52 4.71 0.00 1.65 1.64 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 0.98 7.81 7 I 8.55 4.07 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.68 0.98 0.00 0.00 8 E 8.15 4.04 0.00 2.02 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 2.39 2.47 0.00 9 S 7.84 4.14 0.00 3.61 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 3.90 0.00 3.12 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 11 L 7.99 3.91 0.00 1.78 1.61 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.03 4.29 0.00 2.82 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 13 K 7.64 3.93 0.00 1.60 1.60 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.20 0.33 7.81 14 L 7.41 4.33 0.00 1.58 1.59 0.89 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.39 3.77 0.00 1.98 2.03 0.00 3.28 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 16 I 7.62 3.88 1.59 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.15 0.63 0.00 0.00 17 K 8.54 4.19 0.00 1.68 1.69 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.00 7.81 18 E 9.13 3.64 0.00 1.97 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 0.00 2.24 1.91 0.00 19 K 8.35 4.10 0.00 1.76 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.06 7.81 20 D 8.98 4.80 0.00 2.70 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 21 G 8.32 3.66 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 0.00 0.00 0.00 22 E 8.26 4.03 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 2.32 1.98 0.00 23 E 8.31 4.38 0.00 2.30 2.31 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 2.59 2.67 0.00 24 R 8.36 4.02 0.00 2.04 2.02 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.95 0.00 25 K 8.48 4.05 0.00 1.73 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.36 7.81 26 I 8.15 3.90 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.85 0.94 0.00 0.00 27 Y 8.56 4.04 0.00 3.16 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 28 A 8.06 4.13 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 29 E 7.95 4.09 0.00 2.10 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 0.00 2.34 2.41 0.00 30 V 8.19 3.98 2.12 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 57 T 7.94 5.18 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 1.08 0.00 0.00 58 G 8.62 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 59 K 8.69 4.13 0.00 1.73 1.85 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.39 7.81 60 E 8.21 4.69 0.00 2.12 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 2.26 2.29 0.00 61 A 7.75 5.07 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 8.98 5.25 0.00 2.57 2.15 0.00 0.00 6.70 7.96 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 63 V 8.24 4.68 1.90 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 0.96 0.00 0.00 0.78 0.00 0.00 64 F 8.83 5.40 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 65 Y 9.18 4.63 0.00 2.81 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 66 A 7.07 4.76 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 67 D 8.79 4.69 0.00 2.74 2.61 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 0.00 0.00 0.00 0.00 68 G 8.91 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.50 4.96 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 0.75 0.00 0.00 0.91 0.00 0.00 70 F 9.02 4.82 0.00 2.52 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.80 3.66 0.00 2.38 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 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 73 K 7.39 4.66 0.00 1.88 1.86 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 1.47 1.75 0.00 126 R 7.87 3.77 0.00 2.03 1.97 0.00 3.05 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 127 A 8.14 3.92 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 0.00 128 K 8.42 3.94 0.00 1.88 1.88 0.00 1.48 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.50 7.81 129 E 8.28 4.01 0.00 2.11 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 2.51 2.45 0.00 130 A 7.52 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 0.00 131 G 7.69 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.52 3.72 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 0.54 0.00 0.00 0.92 0.00 0.00 133 S 9.35 4.27 0.00 3.53 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.97 7.81 143 N 9.00 5.39 0.00 3.20 3.43 0.00 0.00 6.19 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 0.00 144 V 7.89 4.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 145 L 9.15 5.29 0.00 1.94 1.75 1.18 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 146 L 9.06 5.14 0.00 1.64 1.67 0.89 0.76 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 *148 E 8.49 4.29 0.00 1.77 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 2.19 2.27 0.00 149 F 8.86 4.26 0.00 3.07 3.09 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 0.00 150 I 8.06 3.96 1.34 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.36 -0.18 0.00 0.00 151 G 7.29 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 7.35 4.77 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.19 0.00 0.00 194 H 9.02 3.82 0.00 3.15 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 A 9.03 3.87 1.05 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 0.00 0.00 196 D 7.55 4.63 0.00 2.43 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 8.21 3.91 0.00 1.40 1.47 -0.37 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 198 S 7.82 4.52 0.00 4.05 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 0.00 199 E 8.25 3.65 0.00 1.16 1.12 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 1.68 1.54 0.00 200 Y 7.74 4.09 0.00 2.96 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 0.00 201 N 8.24 5.00 0.00 2.64 2.89 0.00 0.00 6.60 6.71 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 0.00 202 I 7.15 5.16 1.86 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 1.15 0.00 0.00 *204 Y 8.09 4.85 0.00 3.00 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 0.00 205 I 7.86 3.81 1.79 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.42 0.85 0.00 0.00 206 D 8.35 4.73 0.00 2.74 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 0.00 207 K 6.75 4.65 0.00 1.83 1.73 0.00 1.13 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.14 0.80 7.81 208 V 8.42 4.50 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 0.94 0.00 0.00 0.92 0.00 0.00 209 Y 8.41 4.83 0.00 2.81 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 0.00 210 F 9.04 5.31 0.00 2.84 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 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1.77 1.98 0.00 3.33 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 221 H 8.00 4.07 0.00 3.25 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.89 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 4.04 0.00 1.96 2.01 0.00 3.27 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 *224 A 8.08 4.51 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 8.07 4.10 0.00 2.05 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 2.45 2.35 0.00 226 S 7.89 4.17 0.00 4.10 4.07 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 0.00 227 Y 7.79 4.52 0.00 3.28 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 0.00 228 L 8.16 4.10 0.00 2.01 1.92 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 229 E 8.64 4.21 0.00 2.21 2.36 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 2.53 2.70 0.00 230 R 8.45 4.00 0.00 2.15 2.25 0.00 3.19 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 231 D 8.28 4.34 0.00 2.98 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.67 2.16 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 1.13 0.00 0.00 0.91 0.00 0.00 233 R 8.45 4.14 0.00 2.17 2.03 0.00 3.08 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.02 0.00 234 N 8.39 4.48 0.00 2.98 2.94 0.00 0.00 7.05 7.64 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 0.00 235 I 8.11 4.04 2.17 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.09 1.09 0.00 0.00 236 I 8.37 3.98 2.07 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 1.71 1.39 1.05 0.00 0.00 237 R 8.25 3.91 0.00 2.04 2.24 0.00 3.38 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 238 F 8.48 4.34 0.00 3.33 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 F 8.69 4.22 0.00 3.36 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 0.00 240 S 8.09 4.40 0.00 4.05 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 0.00 241 K 7.57 3.88 0.00 1.18 1.28 0.00 1.47 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.28 1.44 7.81 242 Y 7.94 4.37 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 0.00 243 G 7.99 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 0.00 0.00 0.00 244 V 7.62 3.75 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 0.10 0.00 0.00 1.01 0.00 0.00 245 K 8.21 4.67 0.00 1.70 1.65 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.31 7.81 246 A 8.10 4.55 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 5.04 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 9.26 4.26 0.00 2.99 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 0.00 249 E 8.59 3.94 0.00 2.16 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 2.38 2.34 0.00 250 E 7.76 4.17 0.00 2.11 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 2.31 2.24 0.00 *252 L 8.01 3.98 0.00 1.15 1.28 0.70 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 0.00 253 K 7.61 4.11 0.00 2.00 1.95 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 254 E 8.36 3.85 0.00 2.01 1.94 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 2.25 2.23 0.00 255 V 7.65 3.49 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 0.59 0.00 0.00 0.82 0.00 0.00 256 K 8.10 3.67 0.00 1.60 1.72 0.00 1.76 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.71 1.27 7.81 257 G 7.38 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 E 8.07 4.16 0.00 1.94 1.85 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 2.31 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.