NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 R 4.2664 8.2549 120.8568 55.3935 32.0466 174.7715 21 I 4.3872 7.4321 117.9516 58.9805 39.5948 173.9435 22 K 4.2062 9.3864 128.2542 56.4405 33.6132 175.7640 23 K 4.7868 9.8535 125.6400 54.6351 34.5735 175.0978 24 I 4.6931 8.1551 126.7643 59.3519 39.9683 174.7399 25 S 5.2533 8.7180 121.5194 57.0968 64.5688 172.6363 26 I 4.8938 9.3734 128.3158 60.1491 38.3820 174.5760 27 E 5.2173 9.5481 127.1298 54.1462 32.8680 175.6502 28 G 4.1907 8.5218 110.7310 46.0855 0.0000 171.9715 29 N 4.6867 7.9393 119.1687 52.6021 39.7938 174.2808 30 I 4.0477 8.4596 121.8562 63.0404 37.4030 175.8700 31 A 3.8014 8.9349 126.1236 53.1468 16.0308 178.1901 32 A 4.0632 7.9903 124.2347 55.6072 18.8376 178.6534 33 G 3.5921 8.5752 104.8579 45.6393 0.0000 175.8275 34 K 4.0015 8.4808 121.4681 59.7220 32.1991 179.1723 35 S 4.2819 8.1283 114.5720 62.0361 62.5093 176.9365 36 T 3.7374 7.6741 117.2295 66.4092 68.3577 176.1071 37 F 4.5332 8.2613 122.7201 61.2386 39.5689 177.4402 38 V 3.4718 8.3714 118.4482 65.9607 31.1157 177.5097 39 N 4.5449 7.9814 114.5023 54.7302 38.4917 176.1722 40 I 4.3389 7.0452 113.0992 60.8143 38.4485 177.2402 41 L 4.1228 7.4109 121.7545 58.0969 41.7667 179.0998 42 K 4.0063 8.0380 118.0388 59.5400 32.1425 178.7933 43 Q 4.1918 7.9520 114.1736 57.6368 28.7579 176.5640 44 L 4.1152 7.5695 118.1822 55.5870 42.4555 176.3184 45 C 4.2583 7.1976 117.3584 58.9918 34.8872 174.9440 46 E 4.1196 8.8000 123.1607 58.2322 29.7291 174.1900 47 D 4.7613 7.8094 115.6796 55.5793 41.4356 175.4387 48 W 5.8745 7.8384 119.7285 55.3063 31.0478 175.2900 49 E 4.9756 9.5627 123.5002 54.4797 33.0358 174.5101 50 V 4.9462 8.4753 123.5906 61.2476 34.7206 174.7750 51 V 4.2904 9.1111 128.8162 60.7498 32.4459 173.2225 52 P 4.9463 0.0000 0.0000 61.7168 32.4331 176.2565 53 E 3.8688 9.1854 124.3316 55.7275 30.3396 177.1125 54 P 4.2488 0.0000 0.0000 61.7737 30.4652 178.5261 55 V 2.9981 7.0893 121.0942 64.8461 31.7499 177.4576 56 A 3.9929 7.6673 121.1959 54.4476 18.0469 178.9738 57 R 4.0473 7.2014 114.1796 58.0641 30.2465 177.6219 58 W 4.9924 7.9414 117.6755 58.1990 29.7246 177.2410 59 C 5.2610 7.9638 115.2943 60.2457 28.6187 172.7123 60 N 5.3000 7.7256 117.2480 51.3126 38.1863 172.5101 61 V 3.7471 9.1155 119.9123 63.6346 32.3775 175.2910 62 Q 4.8435 8.5060 125.7495 53.7612 32.8340 175.5967 63 S 4.4072 8.7615 115.5230 58.2861 64.1626 173.2399 64 T 3.5497 8.1956 119.7712 64.2749 69.0089 173.9565 *77 N 4.6554 8.0943 118.7207 53.5417 40.4550 172.5305 78 G 4.3185 9.6356 117.1040 45.4088 0.0000 172.5746 79 G 3.7459 8.7122 109.1442 46.3276 0.0000 172.2393 80 N 5.5386 8.5034 119.5515 49.7372 38.3145 174.8908 81 V 3.4350 8.0549 123.4260 64.2221 31.6248 178.0992 82 L 3.5035 7.8995 120.8240 58.0495 41.9287 178.7980 83 Q 4.0319 8.1404 118.9481 59.1805 29.1927 177.5945 84 M 3.9270 7.8166 119.9000 58.4442 31.6440 178.4603 85 M 4.1578 7.7586 117.1735 59.0179 32.5656 177.7904 86 Y 4.4877 7.5174 115.1339 60.4195 38.0362 177.4666 87 E 4.5116 7.8682 117.6489 56.3468 31.7465 176.5569 88 K 4.7227 8.0524 117.9407 54.4578 34.3505 173.5250 89 P 4.3122 0.0000 0.0000 65.9433 31.4888 178.7490 90 E 4.8576 8.0925 113.4595 56.9588 30.1200 177.0859 91 R 3.9603 8.0069 119.6783 57.6052 31.0541 177.3120 92 W 5.0222 7.6693 114.5881 56.5824 29.6451 177.8365 93 S 4.2204 8.3445 118.0567 61.5608 62.3037 176.1283 94 F 4.0552 8.3030 122.7815 61.6712 39.1313 176.7526 95 T 3.7914 8.3040 114.7259 66.7845 68.2725 175.9138 96 F 3.8539 8.3567 122.0333 61.5349 39.4712 177.1474 97 Q 3.6735 8.5993 117.7924 59.0348 28.1630 179.1468 98 T 2.8548 7.8382 116.9945 66.5019 68.4131 176.2497 99 Y 4.1020 7.9272 121.4966 60.3029 38.7758 177.3895 100 A 3.0893 7.7326 122.2613 54.8073 18.2627 179.2423 101 C 4.2343 7.7321 116.6260 62.6607 31.8358 175.2123 102 L 4.1750 8.0014 121.9732 58.4324 41.6022 178.7659 103 S 3.9818 7.9526 112.7996 61.6117 62.2643 176.2865 104 R 3.8734 8.0249 121.1649 59.2956 29.7788 178.5761 105 I 3.5742 7.8487 119.7646 64.2610 37.0576 178.5358 106 R 3.7596 7.9781 118.6329 59.1167 29.9387 178.9068 107 A 3.9081 7.8110 120.4206 55.4540 18.1750 179.8128 108 Q 3.7457 7.7876 115.2003 58.8403 28.9001 178.6428 109 L 4.1184 8.4564 120.3477 57.4866 41.2406 179.2272 110 A 3.9834 8.3327 121.2509 55.3205 18.1825 179.5957 111 S 4.3237 7.7902 110.8275 60.1127 63.0153 175.0833 112 L 4.8764 7.7949 124.2626 54.6961 42.9370 177.8806 113 N 4.8449 7.7559 112.2418 52.2092 40.2550 177.0311 114 G 4.4732 7.9480 113.9025 45.4898 0.0000 175.3621 115 K 4.0673 8.6621 119.4690 57.0027 32.1171 174.7715 116 L 4.0708 8.2259 121.3506 59.2038 42.2019 179.6601 117 K 3.9710 7.8493 118.9754 57.5002 31.6012 179.9539 118 D 4.6000 7.8475 115.6130 54.8558 41.0905 176.5005 119 A 4.2631 7.9025 125.3462 52.4198 18.8595 177.9139 120 E 4.1903 8.5267 117.4866 58.1461 30.9024 178.3949 121 K 4.7435 8.0302 119.7792 52.0787 32.3758 177.4376 122 P 4.7258 0.0000 0.0000 63.7056 32.8377 177.1769 123 V 4.6085 9.0481 124.7655 60.7722 34.4660 173.6655 124 L 4.9809 9.3774 131.7048 53.6767 43.7380 174.9403 125 F 5.1268 9.8108 126.2555 56.2323 41.3148 174.7636 126 F 5.4873 9.3530 121.9295 55.8949 41.7858 174.4953 127 E 4.6235 9.0214 125.6271 55.8019 29.0575 176.5771 128 R 4.7773 9.5633 125.2226 56.3737 30.2021 175.9284 129 S 4.8898 8.5404 112.5381 56.0773 67.7559 175.2922 130 V 3.8677 8.0732 113.9656 64.1847 30.9454 178.5105 131 Y 4.2939 7.4185 116.5990 61.0565 37.9273 177.7657 132 S 4.2774 7.9809 114.8195 61.8870 63.0852 176.2316 133 D 4.6320 8.2326 121.4839 57.6743 40.6413 179.1470 134 R 4.1540 7.9515 117.9790 59.5057 30.1695 177.4480 135 Y 4.4875 8.3511 113.3621 59.3341 38.4692 175.7404 136 I 4.3249 7.9860 118.6475 62.7833 39.5431 177.6779 137 F 4.1461 8.1174 117.2081 60.6398 39.3265 177.6609 138 A 3.9868 8.7852 120.5709 55.2526 18.2902 179.2939 139 S 3.6890 8.2744 111.6423 61.7654 62.2967 176.0903 140 N 4.2606 8.0110 118.9752 56.6746 38.5921 176.8305 141 L 4.0665 8.3772 120.8575 57.8828 41.7579 178.8593 142 Y 3.9778 7.9141 119.6264 60.3614 38.4357 177.1025 143 E 3.7405 7.6481 117.5343 57.6804 29.6091 178.0256 144 S 4.5744 7.0991 114.4892 57.3415 63.2441 173.6454 145 E 3.6870 7.3619 118.4069 57.6737 27.4704 175.2431 146 C 4.4387 8.2068 116.2769 60.7094 28.7237 173.4434 147 M 5.2508 7.6269 119.3788 52.6508 35.3297 175.3301 148 N 4.8252 9.2862 122.4751 51.9307 39.9756 175.8748 149 E 4.2070 8.8696 119.1555 60.1714 29.3678 179.4912 150 T 3.8984 8.0660 114.8620 66.9030 68.4591 176.0804 151 E 3.6315 9.5087 121.1023 59.2569 29.6132 179.3088 152 W 4.5708 8.7323 128.6845 60.8426 30.5930 178.2198 153 T 3.6356 8.7301 116.0742 66.6384 67.9526 176.8112 154 I 3.7431 7.9884 121.9753 64.5107 37.1051 177.8475 155 Y 4.2455 8.6330 120.6479 61.0397 38.6890 178.2785 156 Q 3.6635 7.6249 118.4327 58.7100 28.7614 178.1569 157 D 4.3552 8.0246 119.2459 56.8623 41.1206 178.2603 158 W 4.1025 8.2380 128.9456 60.7895 30.9308 177.4333 159 H 3.4202 8.5544 118.6025 59.1703 29.1547 176.8418 160 D 4.3953 8.4835 120.9076 57.3182 40.5579 178.4699 161 W 4.1930 7.7751 126.9088 60.6477 30.8193 177.7319 162 M 3.7404 7.9354 118.9180 58.2747 31.3656 178.2495 163 N 4.0992 7.6057 115.9303 56.3735 38.5406 176.6394 164 N 4.0430 8.0747 117.4766 54.9613 39.1238 175.9293 165 Q 3.4814 7.0521 118.3691 56.1533 28.5859 179.2477 166 F 4.6091 6.4085 125.5164 58.0800 36.6415 173.6951 167 G 4.4329 7.3785 111.2559 46.5316 0.0000 174.5362 168 Q 3.6213 8.0478 119.2714 57.5724 28.0764 180.3201 169 S 4.5564 7.9790 109.1741 58.7386 63.3438 174.2502 170 L 4.8424 8.4990 120.5236 54.3738 42.6097 176.5701 171 E 4.7247 8.0039 117.9511 56.1080 29.8573 176.5129 172 L 4.6393 8.8378 122.1707 54.4647 42.8619 176.5130 173 D 4.6825 8.5585 121.9251 55.6805 42.0176 176.6812 174 G 4.3071 7.4337 102.9454 45.6273 0.0000 172.3984 175 I 5.1727 8.6077 121.2771 59.2699 41.2421 175.0178 176 I 4.4684 8.7425 127.1541 59.5885 39.4029 174.3482 177 Y 4.8049 8.8472 130.8913 56.7514 39.5087 174.7298 178 L 4.2430 8.9256 129.2048 53.9325 42.1550 176.2399 179 Q 3.9204 8.5626 126.9604 54.1981 30.4103 174.2914 180 A 5.0619 8.1121 127.0581 50.1694 22.6204 175.8054 181 T 3.8319 9.4383 111.6345 60.7442 69.6044 174.0001 182 P 4.2442 0.0000 0.0000 65.8958 31.1663 178.5424 183 E 4.0501 8.0594 118.3793 59.4868 29.5092 178.9635 184 T 4.0903 7.7867 115.7082 66.4937 68.5050 176.7213 185 C 4.1452 8.2977 118.8954 62.9194 28.3491 175.8041 186 L 4.0272 8.0652 121.7556 58.4340 41.4895 178.5070 187 H 4.5078 7.9697 116.7095 59.0703 29.9433 177.4616 188 R 4.0057 8.2543 119.7015 58.8588 29.9050 179.2124 189 I 3.7251 7.8817 120.1050 64.6032 36.9396 177.6436 190 Y 4.3280 7.3709 117.5587 60.7264 38.5951 177.9966 191 L 3.8263 7.5181 119.1460 57.6158 41.8252 178.9948 192 R 3.9824 7.8051 117.7700 57.6587 30.0849 177.7154 193 G 3.7937 7.7417 104.0826 45.0902 0.0000 173.2453 194 R 3.9833 7.6741 120.9595 56.0791 30.9451 176.7046 195 N 4.4472 9.0827 123.1763 56.6209 38.8595 177.1120 196 E 4.1009 8.2829 115.8708 59.4386 29.8848 178.0558 197 E 4.0902 8.0226 115.9178 58.0253 29.8796 178.7139 198 Q 4.0652 7.7994 117.2167 58.1082 28.7746 177.2492 199 G 3.8648 7.7555 104.6227 45.0942 0.0000 173.6797 200 I 3.5698 7.3734 122.5100 60.2853 37.5650 174.2051 201 P 4.5791 0.0000 0.0000 61.7109 32.6893 176.6257 202 L 3.9469 8.7276 122.0453 58.7255 41.9499 178.8447 203 E 3.9286 8.3639 118.4536 59.7529 29.4855 178.2136 204 Y 4.1532 8.2083 119.3735 60.6948 38.9172 177.7281 205 L 4.0787 8.0637 119.4429 57.5398 41.7483 179.2948 206 E 4.0864 8.4304 119.0103 59.4004 29.3335 179.2603 207 K 3.9963 7.9217 118.1483 59.6906 32.1495 179.4248 208 L 3.8594 7.7054 118.8327 57.6872 41.3363 178.8359 209 H 4.1042 8.2115 118.3334 59.7966 29.7833 177.0041 210 Y 3.9140 8.3588 118.1736 60.8694 37.7592 178.9208 211 K 4.1026 7.9990 119.6502 59.4605 32.0873 179.1355 212 H 4.2952 8.2320 116.7459 58.7417 28.5779 177.6236 213 E 3.7312 8.4009 120.7597 59.4677 29.2274 179.4144 214 S 4.1877 8.5311 113.4536 60.5893 62.2455 175.7294 215 W 4.4789 8.0172 130.3316 59.4083 30.6921 177.5614 216 L 3.8128 8.0140 116.4092 55.4565 40.6844 176.8412 217 L 4.1849 7.2719 119.5739 57.0243 42.4821 177.4037 218 H 4.2970 8.6543 119.9871 56.8095 29.2749 175.9819 219 R 4.1760 7.3431 116.8788 56.5802 27.8911 176.4130 220 T 4.5613 8.2508 104.3689 61.3196 69.3299 173.4842 221 L 4.5934 7.8972 123.2809 54.1290 43.6043 175.3781 222 K 4.4372 8.4463 125.3488 55.2751 33.3936 175.9651 223 T 4.4543 7.7482 112.0301 59.8043 71.7253 173.6603 224 N 4.2655 8.4858 118.3218 54.4262 38.6518 175.9939 225 F 4.7185 7.3015 117.2271 55.2015 38.8734 175.5782 226 D 4.4107 8.7431 126.4462 57.5418 41.2346 178.9203 227 Y 4.2392 8.4824 117.1667 60.2354 37.4536 178.2673 228 L 3.4234 6.4761 120.4897 57.7938 41.4950 179.0862 229 Q 3.9820 7.5413 119.8620 59.9119 28.8569 178.7281 230 E 4.2982 7.9850 117.4934 58.5007 30.6688 179.4241 231 V 3.8463 6.8682 116.7337 63.1436 32.1155 174.6942 232 P 4.6185 0.0000 0.0000 62.9195 32.6448 175.2437 233 I 4.9610 8.3497 122.5597 59.4706 41.0851 174.2352 234 L 4.3165 8.6591 128.8165 53.4549 43.9881 174.8679 235 T 4.9456 8.3909 123.0925 61.8892 70.4312 173.7989 236 L 4.5285 8.4369 126.7642 52.7752 44.5385 175.4383 237 D 4.8105 8.7455 124.4367 53.4344 41.0839 175.6218 238 V 4.4212 8.1503 120.8880 61.4170 31.6992 177.7522 239 N 4.3922 8.5248 123.1637 56.1720 38.6738 176.4319 240 E 4.4415 7.7970 113.2295 54.1371 31.2708 180.4353 241 D 4.5171 8.6057 116.2684 56.2522 42.2737 177.4838 242 F 4.1469 8.9424 127.8569 60.9461 39.6245 176.6311 243 K 4.0025 7.6139 118.9012 59.6725 32.1945 177.5663 244 D 4.6151 7.9348 117.8636 56.4268 41.5121 178.5186 245 K 3.9683 7.8749 118.0704 58.3212 32.1904 178.1650 246 Y 3.7510 7.8021 123.2803 61.4898 38.4956 178.3468 247 E 3.6117 8.2224 118.2250 61.4545 29.7196 181.0641 248 S 4.3071 7.9316 115.4291 61.2417 62.9017 176.2520 249 L 3.9241 7.7425 121.3815 58.2199 41.5354 179.7726 250 V 3.5480 7.4060 117.5890 66.2267 31.2623 177.7125 251 E 3.9603 7.7669 117.8865 59.6586 29.4141 179.7054 252 K 4.1966 8.1613 118.0203 59.0038 31.9065 179.7781 253 V 3.7685 8.0161 119.0599 65.9315 31.4211 178.0319 254 K 4.2000 8.1100 116.8196 60.3194 32.2890 178.0566 255 E 3.8424 8.8612 119.0701 59.4777 28.7844 178.2157 256 F 4.0784 8.9420 119.7136 61.8404 39.4550 177.9632 257 L 3.9526 8.3406 117.8789 57.6810 41.6433 179.3024 258 S 4.3455 8.2054 114.6311 61.3869 62.6151 175.8490 259 T 4.3459 7.1516 109.0480 61.4773 68.3987 174.4983 260 L 4.1447 7.3546 127.5509 55.3098 42.0213 176.2293 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 20 R 8.25 4.27 0.00 1.78 2.02 0.00 3.30 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 1.50 1.60 0.00 21 I 7.43 4.39 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.94 0.00 0.00 22 K 9.39 4.21 0.00 1.62 1.56 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.36 7.81 23 K 9.85 4.79 0.00 1.51 0.96 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.12 1.45 7.81 24 I 8.16 4.69 1.08 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 0.91 0.47 0.93 0.00 0.00 25 S 8.72 5.25 0.00 4.17 3.87 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 26 I 9.37 4.89 2.07 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.07 1.06 0.00 0.00 27 E 9.55 5.22 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 28 G 8.52 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.94 4.69 0.00 2.71 2.73 0.00 0.00 6.89 7.98 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 30 I 8.46 4.05 2.07 0.00 0.00 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 1.76 0.99 1.11 0.00 0.00 31 A 8.93 3.80 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 32 A 7.99 4.06 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 33 G 8.58 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 34 K 8.48 4.00 0.00 1.90 1.99 0.00 1.84 0.00 0.00 2.04 0.00 0.00 3.50 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.60 7.81 35 S 8.13 4.28 0.00 3.85 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 36 T 7.67 3.74 3.95 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 0.29 0.00 0.00 37 F 8.26 4.53 0.00 3.31 3.30 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 38 V 8.37 3.47 2.33 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 0.97 0.00 0.00 1.03 0.00 0.00 39 N 7.98 4.54 0.00 2.83 2.83 0.00 0.00 6.96 6.74 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 40 I 7.05 4.34 2.18 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.74 1.07 0.00 0.00 41 L 7.41 4.12 0.00 1.70 1.48 -0.37 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.04 4.01 0.00 1.82 1.88 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.77 1.48 7.81 43 Q 7.95 4.19 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 44 L 7.57 4.12 0.00 1.65 1.48 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.20 4.26 0.00 1.75 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.80 4.12 0.00 2.03 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 2.23 1.90 0.00 47 D 7.81 4.76 0.00 2.68 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 48 W 7.84 5.87 0.00 3.46 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.56 4.98 0.00 2.18 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 2.29 2.38 0.00 50 V 8.48 4.95 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 0.91 0.00 0.00 0.92 0.00 0.00 51 V 9.11 4.29 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 0.84 0.00 0.00 1.08 0.00 0.00 52 P 0.00 4.95 0.00 1.92 2.00 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 53 E 9.19 3.87 0.00 1.90 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.31 0.00 54 P 0.00 4.25 0.00 1.49 1.67 0.00 3.14 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 55 V 7.09 3.00 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 0.72 0.00 0.00 0.99 0.00 0.00 56 A 7.67 3.99 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 57 R 7.20 4.05 0.00 1.73 1.86 0.00 3.16 0.00 0.00 3.23 7.59 0.00 0.00 0.00 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0.00 78 G 9.64 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.71 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.50 5.54 0.00 2.82 2.63 0.00 0.00 7.42 7.71 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 81 V 8.05 3.43 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 1.05 0.00 0.00 0.95 0.00 0.00 82 L 7.90 3.50 0.00 2.07 1.99 0.51 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.14 4.03 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 84 M 7.82 3.93 0.00 0.89 1.70 0.00 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.08 0.00 85 M 7.76 4.16 0.00 1.49 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 86 Y 7.52 4.49 0.00 2.98 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 87 E 7.87 4.51 0.00 2.02 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 2.32 2.66 0.00 88 K 8.05 4.72 0.00 1.90 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 89 P 0.00 4.31 0.00 2.29 2.42 0.00 3.78 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 90 E 8.09 4.86 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 91 R 8.01 3.96 0.00 1.46 1.77 0.00 2.71 0.00 0.00 2.82 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 92 W 7.67 5.02 0.00 3.43 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 93 S 8.34 4.22 0.00 4.22 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.30 4.06 0.00 3.18 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 95 T 8.30 3.79 4.66 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 1.32 0.00 0.00 96 F 8.36 3.85 0.00 3.19 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 97 Q 8.60 3.67 0.00 1.86 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.60 2.27 0.00 98 T 7.84 2.85 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 0.49 0.00 0.00 99 Y 7.93 4.10 0.00 2.78 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 0.00 100 A 7.73 3.09 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 C 7.73 4.23 0.00 3.42 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.00 4.18 0.00 2.32 1.83 1.09 1.01 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 0.00 103 S 7.95 3.98 0.00 3.50 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 0.00 104 R 8.02 3.87 0.00 2.17 2.04 0.00 3.15 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 105 I 7.85 3.57 1.98 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 0.84 0.00 0.00 106 R 7.98 3.76 0.00 1.95 1.91 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 107 A 7.81 3.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 7.79 3.75 0.00 1.65 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 1.51 2.24 0.00 109 L 8.46 4.12 0.00 1.73 1.64 0.77 0.66 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 0.00 110 A 8.33 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.79 4.32 0.00 3.94 4.03 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 0.00 112 L 7.79 4.88 0.00 1.86 1.72 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.76 4.84 0.00 2.71 2.61 0.00 0.00 6.65 7.17 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 0.00 114 G 7.95 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.66 4.07 0.00 1.69 1.84 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.01 7.81 116 L 8.23 4.07 0.00 1.78 1.75 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.85 3.97 0.00 1.85 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.29 7.81 118 D 7.85 4.60 0.00 2.84 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 0.00 119 A 7.90 4.26 1.35 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 2.40 2.41 0.00 128 R 9.56 4.78 0.00 2.22 2.25 0.00 3.56 0.00 0.00 3.57 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 129 S 8.54 4.89 0.00 4.18 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.07 3.87 1.82 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 0.73 0.00 0.00 -0.01 0.00 0.00 131 Y 7.42 4.29 0.00 3.20 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 0.00 132 S 7.98 4.28 0.00 4.38 4.40 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 0.00 133 D 8.23 4.63 0.00 3.07 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 0.00 134 R 7.95 4.15 0.00 1.74 1.60 0.00 2.44 0.00 0.00 2.62 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.68 0.00 135 Y 8.35 4.49 0.00 2.73 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 0.00 136 I 7.99 4.32 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.18 0.37 0.00 0.00 137 F 8.12 4.15 0.00 3.37 3.21 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 0.00 138 A 8.79 3.99 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 0.00 139 S 8.27 3.69 0.00 4.22 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 0.00 140 N 8.01 4.26 0.00 2.78 2.98 0.00 0.00 7.32 5.94 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 0.00 141 L 8.38 4.07 0.00 1.91 1.77 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 7.91 3.98 0.00 2.53 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 7.65 3.74 0.00 1.99 1.82 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 2.17 2.43 0.00 144 S 7.10 4.57 0.00 3.94 3.87 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 0.00 145 E 7.36 3.69 0.00 2.07 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 2.10 2.14 0.00 146 C 8.21 4.44 0.00 3.14 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 0.00 147 M 7.63 5.25 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 148 N 9.29 4.83 0.00 3.04 3.01 0.00 0.00 6.56 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 0.00 149 E 8.87 4.21 0.00 2.09 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 0.00 2.55 2.48 0.00 150 T 8.07 3.90 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 151 E 9.51 3.63 0.00 2.17 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 1.95 2.34 0.00 152 W 8.73 4.57 0.00 3.03 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 0.00 153 T 8.73 3.64 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 1.17 0.00 0.00 154 I 7.99 3.74 1.98 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.63 1.12 0.00 0.00 155 Y 8.63 4.25 0.00 3.35 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 7.62 3.66 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 1.31 1.22 0.00 157 D 8.02 4.36 0.00 2.86 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 0.00 158 W 8.24 4.10 0.00 3.50 3.34 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 0.00 159 H 8.55 3.42 0.00 2.66 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.48 4.40 0.00 2.74 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 0.00 161 W 7.78 4.19 0.00 3.32 3.30 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 0.00 162 M 7.94 3.74 0.00 1.59 1.59 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.52 0.00 163 N 7.61 4.10 0.00 3.12 3.05 0.00 0.00 6.73 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 0.00 164 N 8.07 4.04 0.00 2.56 2.45 0.00 0.00 7.31 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 0.00 165 Q 7.05 3.48 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.37 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 166 F 6.41 4.61 0.00 2.93 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 G 7.38 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.05 3.62 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 2.30 1.97 0.00 169 S 7.98 4.56 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.50 4.84 0.00 1.74 1.89 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.00 4.72 0.00 1.71 1.20 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 1.97 2.32 0.00 172 L 8.84 4.64 0.00 1.85 1.68 1.25 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 173 D 8.56 4.68 0.00 2.44 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 0.00 174 G 7.43 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 0.00 0.00 0.00 0.00 175 I 8.61 5.17 1.70 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 1.24 0.84 0.68 0.00 0.00 176 I 8.74 4.47 1.85 0.00 0.00 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 0.83 0.79 0.61 0.00 0.00 177 Y 8.85 4.80 0.00 2.71 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 0.00 178 L 8.93 4.24 0.00 1.45 1.44 0.77 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 8.56 3.92 0.00 1.24 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 180 A 8.11 5.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 T 9.44 3.83 4.40 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 1.16 0.00 0.00 182 P 0.00 4.24 0.00 2.30 2.50 0.00 3.45 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 183 E 8.06 4.05 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 2.39 2.46 0.00 184 T 7.79 4.09 4.42 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 1.24 0.00 0.00 185 C 8.30 4.15 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 8.07 4.03 0.00 1.81 1.86 0.96 0.85 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 0.00 187 H 7.97 4.51 0.00 3.38 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 R 8.25 4.01 0.00 2.12 2.02 0.00 3.27 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 189 I 7.88 3.73 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.34 1.00 0.00 0.00 190 Y 7.37 4.33 0.00 3.00 3.24 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 0.00 191 L 7.52 3.83 0.00 1.79 1.62 0.92 0.91 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 0.00 192 R 7.81 3.98 0.00 1.76 2.10 0.00 3.32 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 193 G 7.74 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 194 R 7.67 3.98 0.00 1.89 2.07 0.00 3.60 0.00 0.00 3.43 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 195 N 9.08 4.45 0.00 2.90 2.87 0.00 0.00 7.14 7.66 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 0.00 196 E 8.28 4.10 0.00 2.15 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 2.39 2.47 0.00 197 E 8.02 4.09 0.00 2.13 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 2.59 2.44 0.00 198 Q 7.80 4.07 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.74 2.48 0.00 199 G 7.76 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 0.00 200 I 7.37 3.57 1.89 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.15 0.94 0.00 0.00 201 P 0.00 4.58 0.00 2.24 2.15 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.91 0.00 202 L 8.73 3.95 0.00 1.80 1.75 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.36 3.93 0.00 2.10 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 2.43 2.42 0.00 204 Y 8.21 4.15 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 8.06 4.08 0.00 1.97 1.76 1.06 1.13 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 0.00 206 E 8.43 4.09 0.00 2.25 2.20 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 2.41 2.53 0.00 207 K 7.92 4.00 0.00 1.85 1.80 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.75 7.81 208 L 7.71 3.86 0.00 1.81 1.60 0.78 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 209 H 8.21 4.10 0.00 3.36 3.56 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 Y 8.36 3.91 0.00 3.14 3.05 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 0.00 211 K 8.00 4.10 0.00 1.90 1.86 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.50 7.81 212 H 8.23 4.30 0.00 3.54 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 E 8.40 3.73 0.00 2.05 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 2.19 1.93 0.00 214 S 8.53 4.19 0.00 4.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 W 8.02 4.48 0.00 3.33 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 L 8.01 3.81 0.00 0.37 0.94 0.29 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.27 4.18 0.00 1.58 1.44 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 218 H 8.65 4.30 0.00 3.19 3.33 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 R 7.34 4.18 0.00 2.07 1.98 0.00 3.01 0.00 0.00 3.09 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 220 T 8.25 4.56 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 221 L 7.90 4.59 0.00 1.69 1.64 0.97 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 222 K 8.45 4.44 0.00 1.78 1.71 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.46 7.81 223 T 7.75 4.45 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 -0.11 0.00 0.00 224 N 8.49 4.27 0.00 2.31 2.12 0.00 0.00 6.83 6.98 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 0.00 225 F 7.30 4.72 0.00 3.03 3.21 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 0.00 226 D 8.74 4.41 0.00 2.76 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 0.00 227 Y 8.48 4.24 0.00 3.25 3.24 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 0.00 228 L 6.48 3.42 0.00 1.45 1.56 -0.03 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 229 Q 7.54 3.98 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 230 E 7.99 4.30 0.00 2.12 1.84 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 2.21 2.17 0.00 231 V 6.87 3.85 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.13 0.00 0.00 232 P 0.00 4.62 0.00 2.20 1.97 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 233 I 8.35 4.96 1.78 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.68 0.71 0.00 0.00 234 L 8.66 4.32 0.00 0.27 0.62 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 235 T 8.39 4.95 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 1.21 0.00 0.00 236 L 8.44 4.53 0.00 1.33 1.41 0.69 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 237 D 8.75 4.81 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 V 8.15 4.42 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 0.73 0.00 0.00 0.89 0.00 0.00 239 N 8.52 4.39 0.00 2.88 2.87 0.00 0.00 6.70 7.39 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 0.00 240 E 7.80 4.44 0.00 1.98 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.86 0.00 241 D 8.61 4.52 0.00 2.82 2.78 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 0.00 242 F 8.94 4.15 0.00 3.08 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 0.00 243 K 7.61 4.00 0.00 1.81 1.99 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.52 7.81 244 D 7.93 4.62 0.00 2.73 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 0.00 245 K 7.87 3.97 0.00 1.67 1.80 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.59 7.81 246 Y 7.80 3.75 0.00 2.88 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 0.00 247 E 8.22 3.61 0.00 2.01 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 1.99 0.00 248 S 7.93 4.31 0.00 3.90 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 0.00 249 L 7.74 3.92 0.00 1.77 1.89 0.90 0.86 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 0.00 250 V 7.41 3.55 1.95 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 0.97 0.00 0.00 0.33 0.00 0.00 251 E 7.77 3.96 0.00 2.27 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 2.30 2.43 0.00 252 K 8.16 4.20 0.00 1.94 1.89 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.59 7.81 253 V 8.02 3.77 2.42 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 1.33 0.00 0.00 1.27 0.00 0.00 254 K 8.11 4.20 0.00 2.01 2.00 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.74 1.80 7.81 255 E 8.86 3.84 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 256 F 8.94 4.08 0.00 3.17 3.31 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 0.00 257 L 8.34 3.95 0.00 2.04 1.79 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 258 S 8.21 4.35 0.00 4.07 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 0.00 259 T 7.15 4.35 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 260 L 7.35 4.14 0.00 1.61 1.39 0.62 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.