NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3704 8.3044 120.3251 55.1703 33.4006 174.2961 1 Q 4.0925 8.4572 124.4568 54.1160 30.2256 173.7491 2 D 4.4864 9.3451 126.6718 53.9912 42.1935 175.1614 3 P 4.2537 0.0000 0.0000 65.9923 31.3062 178.4656 4 Y 4.2272 8.0567 115.9403 59.9933 37.7535 178.4299 5 V 3.0374 6.7277 119.6783 65.6567 31.3195 177.8994 6 K 3.9723 7.6064 118.0497 59.2062 32.0043 178.7059 7 E 4.0220 8.1262 118.3910 58.9213 29.4151 178.8401 8 A 4.0644 8.1834 121.1556 55.1936 18.5740 179.5506 9 E 3.9224 8.3404 117.1238 59.3711 29.4627 179.1519 10 N 4.3853 8.0115 117.4282 56.6655 39.0459 177.0527 11 L 4.2297 7.9888 120.5532 57.4085 41.6174 179.2230 12 K 4.0150 8.3901 119.9533 59.6550 32.1410 179.0378 13 K 4.0542 8.1278 118.4478 59.5971 31.7406 178.6273 14 Y 4.0610 8.0054 118.9136 60.3139 38.7129 177.3353 15 F 4.4623 8.4152 115.7091 56.0412 39.8194 175.2010 16 N 4.1790 8.1508 115.3464 54.3665 36.5876 175.1734 17 A 4.4197 8.5863 118.4050 52.7464 18.6882 179.0100 18 G 4.0633 7.9562 104.2108 45.7340 0.0000 173.4482 19 H 4.5773 7.7382 119.9240 54.8724 30.8120 176.4708 20 S 4.1732 8.5116 121.0188 61.5480 62.6609 176.4579 21 D 4.4569 8.4818 122.5219 57.0541 40.3384 178.5450 22 V 3.6919 7.8599 118.7101 64.2165 31.3128 177.6812 23 A 4.0946 7.6368 120.2371 52.9072 18.7471 177.4497 24 D 4.2566 7.3124 117.9108 55.5284 41.8577 175.7729 25 N 4.0053 8.9233 118.7642 54.3066 34.9028 174.6678 26 G 3.8583 7.6775 106.8672 45.6540 0.0000 171.7649 27 T 4.6396 8.1427 107.8892 59.8770 71.6010 174.1650 28 L 3.8033 8.8463 122.1325 56.0686 42.1726 178.7522 29 F 5.0484 8.1555 116.1857 58.3549 40.8235 177.8311 30 L 4.1748 8.2028 118.3826 57.6442 41.2410 179.6220 31 G 3.5766 7.8685 104.6267 47.7891 0.0000 175.4884 32 I 3.9953 7.8219 122.1322 64.1969 37.2565 178.2416 33 L 4.1792 8.0234 119.6796 58.0096 41.2485 179.7992 34 K 3.9822 7.7411 116.8388 59.5026 32.0217 178.8089 35 N 4.0957 7.7323 115.1502 53.4060 38.4519 174.9468 36 W 4.9032 7.2656 120.3728 54.7936 31.3958 175.0565 37 K 4.4685 8.8395 121.8213 57.8313 33.8092 177.6808 38 E 4.1439 8.1088 118.2626 56.2845 30.9839 177.8655 39 E 4.0556 8.8963 122.6413 59.7263 29.4265 179.9284 40 S 4.1106 8.0095 114.8419 61.5653 62.6160 176.2310 41 D 4.1967 8.0055 121.2496 57.1987 40.6600 178.8615 42 R 4.1083 8.1343 118.6698 59.3118 30.1451 179.2767 43 K 4.2460 8.4492 118.8833 59.3876 31.7476 179.4800 44 I 3.9689 7.6789 113.5777 64.1338 37.5868 178.3392 45 M 4.2291 7.8261 119.1667 58.3028 31.9455 178.6839 46 Q 3.8438 8.6494 118.5990 58.7290 28.9236 178.5937 47 S 4.2595 8.3261 114.2988 61.8266 62.4920 176.4551 48 Q 4.0453 7.6894 120.6235 58.8573 28.3803 178.7652 49 I 3.0871 7.3362 120.6194 64.0317 37.0438 178.6472 50 V 3.2391 7.7532 119.8098 65.7819 31.2317 178.2645 51 S 4.4343 8.1454 113.6400 61.0179 62.8719 176.3182 52 F 3.9718 7.9859 124.1622 61.3780 39.0701 176.6803 53 Y 3.8085 7.8262 116.2930 61.1322 37.6774 178.4615 54 F 4.7434 7.9514 118.6373 60.9279 38.7875 178.0042 55 K 4.1041 8.0258 117.2552 59.0844 31.9990 178.9045 56 L 4.1169 7.7546 120.7079 58.3697 42.2108 179.1834 57 F 4.8783 8.3501 117.8236 60.6076 38.9036 177.8061 58 K 4.1571 8.1652 118.0295 59.5263 31.6151 178.9592 59 N 4.3780 8.0107 115.8490 55.0692 38.5758 175.7693 60 F 4.8682 7.8618 118.5289 56.8127 39.7208 177.6291 61 K 4.0459 8.0245 122.9878 59.8750 32.3011 177.3270 62 D 4.7232 8.0260 116.7019 54.0826 40.8546 176.5894 63 D 4.7221 7.8766 122.2490 52.3785 39.4170 176.4402 64 Q 4.0559 8.5251 124.6528 58.5405 29.1586 179.7035 65 S 4.1698 7.8127 110.6381 60.2598 63.2985 174.8873 66 I 4.1809 7.2627 112.6559 60.3413 38.1465 177.1966 67 Q 3.9583 7.7113 121.3612 59.1992 28.3946 178.6716 68 K 3.9254 7.8850 120.1297 59.4842 32.3418 178.9484 69 S 4.1526 7.8722 114.9481 61.6134 62.7719 176.5976 70 V 3.1193 7.6697 120.8629 65.9040 31.1286 177.7067 71 E 3.8857 8.1611 119.2695 59.3556 29.6090 178.8038 72 T 3.9568 7.9271 109.7234 64.2791 68.8948 177.0486 73 I 3.7072 7.6483 123.0929 64.2334 37.1632 178.2681 74 K 4.1595 8.2065 119.6926 59.7109 31.9654 179.0354 75 E 3.9938 8.4295 119.5677 59.2711 29.5209 178.2920 76 D 4.4096 8.0372 117.6878 57.1528 41.2321 178.1471 77 M 4.0739 8.0703 119.6865 58.1516 31.8618 178.2368 78 N 4.7016 8.3727 116.8440 56.4414 38.5475 177.6390 79 V 3.5954 7.6883 118.9045 66.0500 31.5067 178.3336 80 K 3.9667 7.8651 116.7812 59.1915 32.0127 178.5324 81 F 4.2948 8.5940 119.3058 59.2731 39.9984 176.6931 82 F 4.3788 7.8324 114.4239 55.7700 39.3246 175.1085 83 N 4.1109 8.6110 114.8548 53.7837 37.1334 174.0254 84 S 3.7183 8.3646 108.2753 59.0445 61.4521 172.3020 85 N 4.6650 8.0667 120.0456 52.4446 38.9975 175.3025 86 K 3.9060 8.5711 130.0014 59.4864 32.4535 178.4212 87 K 4.0504 8.2078 119.5247 59.2472 32.2168 178.5692 88 K 3.5109 8.5844 120.1430 59.3310 32.0338 178.8167 89 R 2.8806 7.6143 118.5840 59.1209 29.9103 178.2390 90 D 4.3141 8.2567 118.8644 57.4505 40.8192 178.4852 91 D 4.4579 8.3786 119.4408 57.2930 40.8759 178.5781 92 F 4.1506 8.2478 121.1543 61.3302 39.2097 176.6721 93 E 3.9746 8.2573 117.6264 59.3052 29.6794 178.5973 94 K 3.8633 8.0116 118.3582 59.3772 32.1269 179.2549 95 L 3.5597 7.6017 119.3918 57.8459 41.3342 179.6151 96 T 3.9830 7.4752 107.9994 63.7777 68.9007 175.5009 97 N 4.6260 7.2474 117.1685 52.7909 39.4706 174.9942 98 Y 4.4141 6.6656 117.6431 58.2454 38.4976 175.5855 99 S 4.7085 8.7297 118.5849 57.0482 63.3267 175.3849 100 V 3.6269 8.5071 121.5775 63.9026 31.5083 177.1472 101 T 4.2418 7.4460 108.7128 62.5765 69.5536 175.0810 102 D 4.4397 7.8821 123.3833 54.0048 41.9032 176.2436 103 L 4.2633 8.6728 128.9954 58.4505 42.2010 178.4106 104 N 4.4652 8.5461 116.2011 55.5599 38.4193 177.7190 105 V 3.3711 7.8386 119.7162 65.8488 31.7426 177.6719 106 Q 3.9600 8.0779 117.8498 59.1466 28.5478 179.3728 107 R 3.8797 7.7264 118.5299 59.2810 30.2345 179.3373 108 K 3.8622 7.9244 118.0485 59.2413 31.7223 179.3320 109 A 3.8458 7.8510 120.6499 55.2109 18.4523 179.5000 110 I 3.9666 7.8348 118.3931 64.4721 36.9187 178.1826 111 D 4.3885 8.1670 118.2784 56.8707 41.3003 177.2294 112 E 4.3948 8.0990 116.7288 56.3469 29.8116 177.7268 113 L 3.9469 7.7637 122.2032 58.5217 42.0422 178.8817 114 I 3.8537 7.8638 118.8038 64.7358 37.1402 178.3942 115 Q 4.0540 8.1037 118.2890 58.8137 28.5248 178.8001 116 V 3.6430 8.1903 119.7053 66.2372 31.5277 177.9710 117 M 3.9042 8.1166 118.2702 58.2481 31.7168 178.6336 118 A 4.0865 7.7878 120.6948 55.2327 18.3594 179.5672 119 E 4.0343 7.9570 115.8997 58.9897 29.6165 178.8304 120 L 4.2600 7.7697 117.6193 55.5308 41.9057 177.7858 121 G 3.9049 7.9428 107.1144 44.8444 0.0000 173.6143 122 A 4.1719 7.7222 122.3886 51.6443 19.1360 177.9825 123 N 4.7262 8.1313 119.0840 51.1643 38.3107 175.2788 124 V 3.4136 7.5406 116.4097 60.9898 32.7030 175.9576 *201 S 4.7071 7.7375 118.4130 58.2272 65.2231 175.1888 202 G 3.6829 8.4147 108.0017 47.6738 0.0000 175.5813 203 E 3.9828 8.1697 121.3598 59.0660 29.7325 178.3791 204 F 3.9228 8.1384 120.4538 61.2639 39.4903 177.2378 205 V 3.7300 7.9935 117.7918 66.0088 31.3218 178.2187 206 K 4.0023 7.9264 118.0136 59.5195 31.9271 179.2661 207 E 3.8703 8.2085 118.6633 59.2260 29.3898 179.3243 208 A 3.8755 7.9134 120.9418 55.0973 18.3160 179.5881 209 E 4.0117 8.3285 117.0256 59.2067 29.4705 179.1404 210 N 4.3454 8.0257 117.5217 56.6293 39.0607 177.0031 211 L 4.1551 8.0135 120.4400 57.6529 41.4420 179.4181 212 K 4.1646 7.9432 118.8207 59.0798 32.2340 178.9781 213 K 4.1502 7.8746 119.2236 59.5443 31.8310 178.2315 214 Y 4.0223 7.7043 118.6723 61.0297 38.5928 177.5558 215 F 4.2414 8.4504 115.2368 58.5019 39.1547 174.6608 216 N 5.0509 7.6608 117.6975 51.1090 42.4255 175.1291 *226 G 3.9101 8.0931 106.7347 45.5780 0.0000 173.4294 227 T 4.1144 8.3083 115.2408 61.4405 69.7491 174.5634 228 L 3.8037 8.6880 124.2843 57.0238 42.5609 177.9884 229 F 5.1184 8.3518 116.4177 58.6851 40.7880 177.8157 230 L 4.2216 8.2676 118.3040 57.5295 41.2212 179.5780 231 G 3.6124 7.9224 104.9003 47.9914 0.0000 175.4298 232 I 4.0338 7.8848 122.4681 64.1094 37.3149 178.4220 233 L 4.2186 8.2431 119.6741 57.6931 41.2078 179.4854 234 K 4.2231 7.8056 116.7062 58.6572 32.0999 178.6628 235 N 4.2721 7.7630 116.1189 53.3595 38.3932 174.8409 236 W 4.6969 7.0672 118.7658 54.8952 30.5899 175.4113 237 K 4.3308 8.7039 123.3041 58.2148 32.8213 178.2706 238 E 4.2145 8.0262 118.0394 55.7310 31.3744 177.2126 239 E 3.9481 8.8273 123.2438 59.8771 29.6948 179.6363 240 S 4.1352 7.9962 114.4773 61.6096 62.8035 176.2595 241 D 4.1951 8.0095 121.2436 57.1631 40.5712 178.7221 242 R 4.0320 8.0896 118.6892 59.3579 30.0812 179.2505 243 K 4.0944 8.1254 118.1844 59.4174 31.7085 179.3890 244 I 3.8476 7.5882 119.7067 64.8770 37.0438 178.4342 245 M 4.2171 7.9385 119.1942 58.4489 31.8040 178.8771 246 Q 3.9342 8.6085 118.6911 58.8443 28.9525 178.7055 247 S 4.2716 8.4532 114.4138 61.6508 62.3100 176.3047 248 Q 4.0641 7.7396 120.5772 58.6280 28.4410 178.6663 249 I 3.1735 7.4588 121.0463 64.1658 37.0628 178.6097 250 V 3.1711 7.5159 119.5316 65.7287 31.2312 178.2237 251 S 4.2741 7.9655 113.6168 61.0750 62.8660 176.3736 252 F 3.9712 7.8075 124.5486 61.4648 39.1192 176.8068 253 Y 3.8056 7.9102 116.3861 60.9152 37.5520 178.4597 254 F 4.6503 8.2262 118.9371 60.3685 38.8857 177.6958 255 K 3.9671 7.9591 119.0602 59.2143 31.7959 178.6690 256 L 3.9464 7.3333 119.4772 58.3309 42.1899 178.7278 257 F 4.8827 8.1556 117.8498 60.4646 38.8555 177.5471 258 K 4.0361 8.3487 119.4814 59.7235 31.8429 178.4860 259 N 4.5963 8.0521 114.5019 54.9417 38.2417 175.7364 260 F 4.9340 7.9337 118.2145 56.8837 40.1667 176.6797 261 K 4.3323 7.9550 119.0579 58.5529 32.6541 177.3780 262 D 4.5530 7.8891 118.3619 55.1636 42.0957 175.8487 263 D 4.3732 7.7165 118.0769 54.6514 40.0614 176.9393 264 Q 4.0063 8.9640 126.0461 59.2908 28.9548 179.2561 265 S 4.3544 8.0686 112.2962 60.7908 63.0956 174.9647 266 I 4.3804 6.9988 110.1392 59.4988 38.6619 176.5674 267 Q 3.8896 8.0363 123.5119 59.8860 28.7707 178.8016 268 K 3.9499 7.8891 119.7549 59.2474 32.2976 178.7733 269 S 4.0707 7.8607 115.0944 61.6194 62.8314 176.5798 270 V 3.2015 7.9262 121.1760 65.9620 31.3353 177.6696 271 E 3.8957 8.0158 118.7851 59.3321 29.4072 179.0526 272 T 3.8344 7.6861 115.7177 66.5912 68.4788 176.8374 273 I 3.6068 7.3643 121.6527 64.1618 37.0832 178.4200 274 K 4.1566 7.5872 120.4343 59.5561 32.0439 178.4306 275 E 3.9840 8.0830 119.2656 59.4659 29.5956 178.5311 276 D 4.4285 8.3039 119.0077 57.5676 40.9025 178.4131 277 M 4.0971 8.5981 119.0224 58.6457 32.2357 178.0956 278 N 4.6683 8.5675 116.7233 56.3670 38.9021 177.3964 279 V 3.6336 7.9818 119.6423 65.9573 31.0768 178.0459 280 K 3.8981 8.0010 119.0938 59.5913 31.9125 178.6492 281 F 4.0713 8.0215 119.5094 60.5325 39.5304 176.1044 282 F 4.5218 7.8300 115.0117 55.8744 39.2782 175.4324 283 N 4.3284 8.4298 114.0754 54.7842 36.4441 174.6381 284 S 3.7069 7.9733 107.4664 59.5462 61.6008 172.6662 285 N 4.7753 7.9993 119.8267 52.1964 39.3758 175.4269 286 K 4.0219 8.5556 129.0112 59.2819 32.2393 179.2304 287 K 4.0771 8.4149 120.2289 59.1636 32.1556 178.8958 288 K 3.6924 8.3698 119.6020 59.4104 32.1714 178.5947 289 R 2.5100 7.6637 118.8777 58.9946 29.8916 178.2636 290 D 4.3186 8.1218 118.6802 57.3657 40.8194 178.4905 291 D 4.4128 8.3328 119.4864 57.3944 40.7911 178.5515 292 F 4.1014 8.2368 121.1351 61.3983 39.1274 177.0640 293 E 4.0802 8.1160 117.4788 58.9907 29.5206 178.9233 294 K 3.8659 7.9395 119.6714 59.5896 32.1206 178.7691 295 L 3.7087 7.5600 117.8978 57.4699 41.6000 178.7529 296 T 4.3499 7.1411 106.3463 61.7423 69.1616 174.7225 297 N 5.0007 7.2654 118.3113 53.2874 39.9448 173.9915 298 Y 4.6007 7.7063 116.3841 57.3542 38.8049 175.2507 299 S 4.2697 8.7306 118.2565 58.8934 62.9143 174.3268 300 V 3.8679 8.3296 125.6452 63.7994 31.9312 176.4068 301 T 4.2688 7.6625 107.9904 62.8666 70.3549 174.8867 302 D 4.3227 8.1874 121.8731 54.8198 41.9934 177.2509 303 L 4.1637 8.6577 127.1734 57.9055 41.8104 179.0903 304 N 4.4679 8.8402 116.9175 55.8594 38.4149 177.6684 305 V 3.5365 7.7481 119.6146 65.8849 31.7480 177.8934 306 Q 4.0656 8.1101 117.8627 58.9897 28.5708 178.7745 307 R 3.9631 8.1489 119.7115 59.4564 30.1589 178.7834 308 K 3.9728 8.0553 117.9446 59.1889 31.8241 179.2664 309 A 3.9544 7.9693 121.2165 55.2833 18.1240 179.8049 310 I 3.7498 7.6195 117.2719 64.6101 37.1326 177.8189 311 H 4.2640 8.0610 118.4793 59.2061 30.0922 176.5721 312 E 4.2793 8.4045 118.3633 56.8395 29.4242 178.1199 313 L 3.7743 7.6848 122.1507 58.5282 42.1081 178.8752 314 I 3.8779 7.7827 118.7433 64.7680 36.8950 178.3677 315 Q 4.1145 7.9984 116.9486 58.4929 28.8727 178.4168 316 V 3.7505 7.8148 119.7678 66.1756 31.6796 177.9631 317 M 3.8395 8.2419 118.4632 58.2482 31.5309 178.5263 318 A 4.2486 7.9404 119.5757 54.0805 18.4719 177.9032 319 E 4.6023 7.5564 115.0132 56.0724 30.2284 176.9083 320 L 4.1004 7.7964 123.1768 57.4082 42.3685 177.6625 321 S 4.5087 7.7501 113.6218 56.7029 63.7729 171.8759 322 P 4.4659 0.0000 0.0000 62.6670 31.7205 176.3285 323 A 4.1593 8.4989 124.3724 51.7931 19.5989 177.1299 324 A 4.1398 8.5387 121.2451 52.7841 18.8125 177.1130 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 M 8.30 4.37 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 1 Q 8.46 4.09 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.87 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 2 D 9.35 4.49 0.00 2.67 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 3 P 0.00 4.25 0.00 2.19 2.12 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 4 Y 8.06 4.23 0.00 3.20 3.22 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 5 V 6.73 3.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.20 0.00 0.00 6 K 7.61 3.97 0.00 1.85 1.72 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 7 E 8.13 4.02 0.00 2.14 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 2.56 2.32 0.00 8 A 8.18 4.06 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 9 E 8.34 3.92 0.00 2.13 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 2.43 2.42 0.00 10 N 8.01 4.39 0.00 2.90 2.99 0.00 0.00 7.13 7.07 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 11 L 7.99 4.23 0.00 2.00 1.83 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.39 4.02 0.00 2.02 2.05 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.54 7.81 13 K 8.13 4.05 0.00 1.96 1.90 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.69 7.81 14 Y 8.01 4.06 0.00 3.10 3.32 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 15 F 8.42 4.46 0.00 3.04 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 16 N 8.15 4.18 0.00 2.90 2.87 0.00 0.00 6.89 7.70 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 17 A 8.59 4.42 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 18 G 7.96 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 19 H 7.74 4.58 0.00 3.29 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.51 4.17 0.00 4.07 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 21 D 8.48 4.46 0.00 2.72 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 22 V 7.86 3.69 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 0.72 0.00 0.00 0.90 0.00 0.00 23 A 7.64 4.09 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 24 D 7.31 4.26 0.00 2.70 2.60 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 25 N 8.92 4.01 0.00 2.85 2.92 0.00 0.00 6.99 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 26 G 7.68 3.86 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 0.00 0.00 0.00 27 T 8.14 4.64 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 28 L 8.85 3.80 0.00 0.27 0.13 0.11 -0.22 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 29 F 8.16 5.05 0.00 3.06 2.85 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 30 L 8.20 4.17 0.00 1.71 1.75 0.99 1.02 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 31 G 7.87 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.82 4.00 2.17 0.00 0.00 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 1.94 1.32 1.16 0.00 0.00 33 L 8.02 4.18 0.00 1.92 1.79 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.74 3.98 0.00 1.85 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.68 7.81 35 N 7.73 4.10 0.00 1.72 1.70 0.00 0.00 6.85 8.84 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 36 W 7.27 4.90 0.00 3.34 3.16 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 37 K 8.84 4.47 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.40 7.81 38 E 8.11 4.14 0.00 2.04 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 0.00 2.50 2.41 0.00 39 E 8.90 4.06 0.00 1.98 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 2.42 2.36 0.00 40 S 8.01 4.11 0.00 3.82 3.84 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 41 D 8.01 4.20 0.00 2.96 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 42 R 8.13 4.11 0.00 2.10 2.04 0.00 3.19 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 43 K 8.45 4.25 0.00 1.82 1.88 0.00 1.45 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.55 7.81 44 I 7.68 3.97 2.10 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.88 0.83 0.00 0.00 45 M 7.83 4.23 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.82 0.00 46 Q 8.65 3.84 0.00 2.21 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 47 S 8.33 4.26 0.00 4.30 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 48 Q 7.69 4.05 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.51 1.98 0.00 49 I 7.34 3.09 1.57 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.32 0.05 0.00 0.00 50 V 7.75 3.24 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 0.27 0.00 0.00 -0.07 0.00 0.00 51 S 8.15 4.43 0.00 4.20 4.28 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 52 F 7.99 3.97 0.00 3.17 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 53 Y 7.83 3.81 0.00 2.90 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 54 F 7.95 4.74 0.00 3.31 3.17 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 55 K 8.03 4.10 0.00 1.87 1.80 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 56 L 7.75 4.12 0.00 1.55 1.65 1.25 1.09 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 57 F 8.35 4.88 0.00 3.31 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 58 K 8.17 4.16 0.00 2.10 1.91 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.59 7.81 59 N 8.01 4.38 0.00 2.71 2.37 0.00 0.00 6.88 7.35 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 60 F 7.86 4.87 0.00 3.33 3.16 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 61 K 8.02 4.05 0.00 1.94 2.11 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.44 7.81 62 D 8.03 4.72 0.00 2.70 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 63 D 7.88 4.72 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.53 4.06 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 65 S 7.81 4.17 0.00 4.04 4.02 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 66 I 7.26 4.18 1.59 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.76 -0.14 0.00 0.00 67 Q 7.71 3.96 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 68 K 7.88 3.93 0.00 1.83 1.76 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.56 7.81 69 S 7.87 4.15 0.00 3.95 3.84 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 70 V 7.67 3.12 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 0.74 0.00 0.00 0.73 0.00 0.00 71 E 8.16 3.89 0.00 2.31 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 2.28 2.33 0.00 72 T 7.93 3.96 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 1.30 0.00 0.00 73 I 7.65 3.71 1.78 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.73 0.94 0.00 0.00 74 K 8.21 4.16 0.00 1.92 1.92 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.79 1.55 7.81 75 E 8.43 3.99 0.00 2.14 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 2.38 0.00 76 D 8.04 4.41 0.00 3.00 2.60 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 77 M 8.07 4.07 0.00 2.26 2.48 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.42 0.00 78 N 8.37 4.70 0.00 3.11 2.95 0.00 0.00 6.63 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.69 3.60 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 1.05 0.00 0.00 0.99 0.00 0.00 80 K 7.87 3.97 0.00 1.83 1.82 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.40 7.81 81 F 8.59 4.29 0.00 2.59 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 7.83 4.38 0.00 3.24 2.91 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 83 N 8.61 4.11 0.00 2.76 2.85 0.00 0.00 7.37 7.63 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 84 S 8.36 3.72 0.00 4.08 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 85 N 8.07 4.66 0.00 2.86 2.85 0.00 0.00 6.86 6.12 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 86 K 8.57 3.91 0.00 1.86 1.81 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.48 7.81 87 K 8.21 4.05 0.00 1.99 2.23 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.82 1.61 7.81 88 K 8.58 3.51 0.00 1.59 1.79 0.00 1.59 0.00 0.00 1.26 0.00 0.00 2.39 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.14 0.21 7.81 89 R 7.61 2.88 0.00 1.29 1.76 0.00 2.28 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.38 0.00 90 D 8.26 4.31 0.00 2.91 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 91 D 8.38 4.46 0.00 3.03 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.25 4.15 0.00 3.28 3.17 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 93 E 8.26 3.97 0.00 2.07 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 0.00 2.28 2.35 0.00 94 K 8.01 3.86 0.00 1.87 1.55 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.61 7.81 95 L 7.60 3.56 0.00 1.65 1.60 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.48 3.98 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 97 N 7.25 4.63 0.00 2.55 2.85 0.00 0.00 7.00 8.51 0.00 0.00 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 Y 6.67 4.41 0.00 2.99 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 99 S 8.73 4.71 0.00 3.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.51 3.63 1.92 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 0.04 0.00 0.00 0.87 0.00 0.00 101 T 7.45 4.24 4.28 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 1.22 0.00 0.00 102 D 7.88 4.44 0.00 2.77 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 0.00 103 L 8.67 4.26 0.00 1.85 1.69 1.03 0.71 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 0.00 104 N 8.55 4.47 0.00 2.78 2.80 0.00 0.00 6.60 7.47 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 0.00 105 V 7.84 3.37 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 1.06 0.00 0.00 0.85 0.00 0.00 106 Q 8.08 3.96 0.00 2.41 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 107 R 7.73 3.88 0.00 1.96 1.96 0.00 3.14 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.87 0.00 108 K 7.92 3.86 0.00 1.68 1.56 0.00 1.49 0.00 0.00 1.38 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.43 7.81 109 A 7.85 3.85 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 0.00 110 I 7.83 3.97 1.75 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 1.15 0.49 0.98 0.00 0.00 111 D 8.17 4.39 0.00 2.80 2.68 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 0.00 112 E 8.10 4.39 0.00 2.21 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 0.00 2.31 2.35 0.00 113 L 7.76 3.95 0.00 1.83 1.89 0.68 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.86 3.85 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.44 0.96 0.00 0.00 115 Q 8.10 4.05 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 116 V 8.19 3.64 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 0.96 0.00 0.00 1.19 0.00 0.00 117 M 8.12 3.90 0.00 1.76 2.04 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.71 0.00 118 A 7.79 4.09 1.33 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 0.00 119 E 7.96 4.03 0.00 2.11 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 2.54 2.52 0.00 120 L 7.77 4.26 0.00 1.74 1.70 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.94 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 0.00 122 A 7.72 4.17 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 0.00 123 N 8.13 4.73 0.00 2.66 2.74 0.00 0.00 7.00 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 0.00 124 V 7.54 3.41 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 0.27 0.00 0.00 0.87 0.00 0.00 *201 S 7.74 4.71 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 0.00 202 G 8.41 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 0.00 0.00 0.00 203 E 8.17 3.98 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 204 F 8.14 3.92 0.00 3.13 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 0.00 205 V 7.99 3.73 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.04 0.00 0.00 206 K 7.93 4.00 0.00 1.94 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.66 7.81 207 E 8.21 3.87 0.00 1.83 1.76 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 2.44 2.33 0.00 208 A 7.91 3.88 1.26 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 *226 G 8.09 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 0.00 227 T 8.31 4.11 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 1.19 0.00 0.00 228 L 8.69 3.80 0.00 1.00 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 229 F 8.35 5.12 0.00 3.16 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.22 0.00 1.72 1.76 0.95 1.03 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 0.00 231 G 7.92 3.61 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 0.00 0.00 0.00 232 I 7.88 4.03 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.20 1.18 0.00 0.00 233 L 8.24 4.22 0.00 1.93 1.93 0.97 0.78 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 0.00 234 K 7.81 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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 1.83 1.96 0.00 243 K 8.13 4.09 0.00 1.94 1.89 0.00 1.62 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.60 1.59 7.81 244 I 7.59 3.85 1.96 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 1.08 0.00 0.00 245 M 7.94 4.22 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.82 0.00 246 Q 8.61 3.93 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 247 S 8.45 4.27 0.00 4.29 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 0.00 248 Q 7.74 4.06 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.54 2.07 0.00 249 I 7.46 3.17 1.63 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 0.38 0.47 0.06 0.00 0.00 250 V 7.52 3.17 1.11 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 1.47 1.53 7.81 259 N 8.05 4.60 0.00 2.90 2.54 0.00 0.00 6.86 8.70 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 0.00 260 F 7.93 4.93 0.00 3.22 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 0.00 261 K 7.96 4.33 0.00 1.96 2.24 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.44 7.81 262 D 7.89 4.55 0.00 2.69 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 0.00 263 D 7.72 4.37 0.00 3.00 2.56 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 0.00 0.00 0.00 0.00 264 Q 8.96 4.01 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 265 S 8.07 4.35 0.00 3.61 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 0.00 266 I 7.00 4.38 1.63 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 1.09 0.23 0.00 0.00 267 Q 8.04 3.89 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 268 K 7.89 3.95 0.00 1.86 1.72 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.53 7.81 269 S 7.86 4.07 0.00 3.93 3.74 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 0.00 270 V 7.93 3.20 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 0.94 0.00 0.00 0.98 0.00 0.00 271 E 8.02 3.90 0.00 2.11 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 2.28 2.36 0.00 272 T 7.69 3.83 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 273 I 7.36 3.61 1.32 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.17 0.70 0.00 0.00 274 K 7.59 4.16 0.00 1.88 1.83 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 275 E 8.08 3.98 0.00 2.24 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 2.33 2.43 0.00 276 D 8.30 4.43 0.00 3.15 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 0.00 277 M 8.60 4.10 0.00 2.58 2.33 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 278 N 8.57 4.67 0.00 3.17 3.04 0.00 0.00 6.63 7.14 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 0.00 279 V 7.98 3.63 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 1.02 0.00 0.00 1.03 0.00 0.00 280 K 8.00 3.90 0.00 1.90 1.76 0.00 1.54 0.00 0.00 1.52 0.00 0.00 3.20 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.47 7.81 281 F 8.02 4.07 0.00 2.71 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 0.00 0.00 0.00 0.00 282 F 7.83 4.52 0.00 3.26 2.93 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 0.00 283 N 8.43 4.33 0.00 2.83 2.85 0.00 0.00 6.91 7.45 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 0.00 284 S 7.97 3.71 0.00 4.08 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 0.00 285 N 8.00 4.78 0.00 2.83 2.87 0.00 0.00 7.24 6.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 286 K 8.56 4.02 0.00 1.87 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.53 7.81 287 K 8.41 4.08 0.00 1.95 2.19 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.64 1.51 7.81 288 K 8.37 3.69 0.00 1.57 1.71 0.00 1.64 0.00 0.00 1.35 0.00 0.00 2.50 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.07 0.21 7.81 289 R 7.66 2.51 0.00 1.46 1.83 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 290 D 8.12 4.32 0.00 2.98 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 0.00 291 D 8.33 4.41 0.00 3.04 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 292 F 8.24 4.10 0.00 3.13 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 0.00 293 E 8.12 4.08 0.00 1.99 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 2.42 2.59 0.00 294 K 7.94 3.87 0.00 1.95 1.83 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.26 1.46 7.81 295 L 7.56 3.71 0.00 1.62 1.58 0.92 1.07 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 0.00 296 T 7.14 4.35 4.18 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 0.73 0.00 0.00 297 N 7.27 5.00 0.00 2.76 2.77 0.00 0.00 6.96 7.49 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 0.00 298 Y 7.71 4.60 0.00 3.25 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 0.00 299 S 8.73 4.27 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 300 V 8.33 3.87 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 0.77 0.00 0.00 0.86 0.00 0.00 301 T 7.66 4.27 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 0.00 302 D 8.19 4.32 0.00 2.74 2.65 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 0.00 303 L 8.66 4.16 0.00 1.77 1.79 0.96 0.82 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 0.00 304 N 8.84 4.47 0.00 2.94 2.85 0.00 0.00 6.53 7.90 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 0.00 305 V 7.75 3.54 2.24 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 1.11 0.00 0.00 0.88 0.00 0.00 306 Q 8.11 4.07 0.00 2.49 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 307 R 8.15 3.96 0.00 2.14 2.14 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 308 K 8.06 3.97 0.00 1.85 1.65 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.51 1.54 7.81 309 A 7.97 3.95 1.47 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 0.00 310 I 7.62 3.75 1.65 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 1.15 -0.36 0.81 0.00 0.00 311 H 8.06 4.26 0.00 3.24 3.53 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 312 E 8.40 4.28 0.00 2.23 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 2.36 2.49 0.00 313 L 7.68 3.77 0.00 1.87 1.83 0.32 1.01 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 0.00 314 I 7.78 3.88 1.89 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 1.69 0.76 0.93 0.00 0.00 315 Q 8.00 4.11 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 316 V 7.81 3.75 2.17 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 0.89 0.00 0.00 1.14 0.00 0.00 317 M 8.24 3.84 0.00 1.37 2.14 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 318 A 7.94 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 319 E 7.56 4.60 0.00 1.95 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 2.33 2.36 0.00 320 L 7.80 4.10 0.00 1.69 1.63 0.60 0.65 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 0.00 321 S 7.75 4.51 0.00 3.90 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 0.00 322 P 0.00 4.47 0.00 2.16 2.23 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 323 A 8.50 4.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 324 A 8.54 4.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.