NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.3009 7.8827 121.4549 61.2217 38.7477 173.7811 17 V 4.2565 8.7366 125.8792 61.7756 32.7168 174.4323 18 G 3.7113 8.4337 114.0143 46.4924 0.0000 173.3322 19 G 4.2405 7.7935 110.1661 44.0727 0.0000 172.6356 20 Y 4.9669 7.7553 116.6911 55.2073 42.2515 174.8710 21 T 4.2994 8.5912 117.1156 63.8799 68.3963 175.2609 22 C 4.2711 8.5601 125.5581 59.6858 35.5465 175.6295 23 G 4.0142 8.5863 105.4917 44.8433 0.0000 172.6227 24 A 3.9836 8.4949 125.1273 53.9099 18.6369 176.9328 25 N 4.2692 8.8608 118.3056 54.4333 36.2051 175.4486 26 T 4.2005 7.5874 109.0310 62.9024 70.0099 175.2214 27 V 4.0599 7.0613 121.8969 59.8295 31.4339 173.6577 28 P 4.3299 0.0000 0.0000 64.5235 31.8759 178.1949 29 Y 5.0610 6.7675 115.5143 56.5302 38.8391 174.7290 30 Q 4.5924 7.2433 123.1239 56.3695 29.3422 175.5081 31 V 4.8813 8.9654 118.7566 59.6358 36.2113 174.1734 32 S 4.9136 8.8012 117.2419 56.5603 64.9324 172.6841 33 L 4.5291 8.5109 127.6897 53.4895 43.0666 175.1353 34 N 5.6343 8.6913 122.2281 50.1037 42.3246 174.8385 *37 S 4.1950 8.3857 120.7516 58.5922 64.0536 174.7487 38 G 4.0020 9.1868 107.7833 44.9472 0.0000 172.6257 39 Y 4.4956 6.6029 115.0573 56.3271 39.8836 172.4542 40 H 4.6066 8.8998 121.8359 56.0874 30.3868 174.7602 41 F 5.0525 7.5968 120.1150 56.9604 39.7667 174.0200 42 C 4.6710 6.7877 114.7955 56.2667 44.7129 173.3966 43 G 4.1398 8.7155 109.2716 45.9147 0.0000 172.2053 44 G 4.4917 7.8333 105.1428 46.4935 0.0000 172.7390 45 S 5.4369 8.7091 115.4824 56.4386 66.8405 173.6041 46 L 4.8310 9.2465 127.7962 54.7876 42.3070 177.1091 47 I 4.3619 8.6263 120.1360 61.4039 38.8460 174.5760 48 N 4.7284 7.6677 117.3571 51.9146 39.6032 175.0783 49 S 4.2172 8.6569 112.3246 60.7832 63.1252 174.8576 50 Q 4.5473 9.2061 120.6395 55.1206 31.0641 174.1616 51 W 5.4986 8.4978 117.7186 55.4003 33.3249 174.3556 52 V 4.9746 9.1184 123.4705 61.1380 34.5218 174.0936 53 V 4.8973 8.8939 126.9857 61.6800 33.6580 174.6874 54 S 5.1687 9.0837 121.0868 57.5665 66.3194 171.9412 55 A 4.4262 8.4731 121.0435 50.6869 20.2270 178.3534 56 A 3.7987 8.3722 124.8024 55.3809 18.4085 179.4456 57 H 4.4554 8.1159 109.5470 57.7388 28.6152 175.4994 58 C 4.6460 7.7684 116.8787 57.5072 40.5202 173.3444 59 Y 4.1874 7.8113 122.2003 57.7439 38.7753 175.2273 60 K 3.6169 6.6661 123.1977 56.0509 34.5929 174.5430 61 S 4.2372 8.1691 114.7804 58.3711 64.3458 173.2699 62 G 3.6960 8.2855 106.3019 46.7397 0.0000 173.8761 63 I 4.2147 7.4765 119.7060 60.1072 39.1919 175.3568 64 Q 4.7951 8.9156 128.5769 54.2197 31.4049 174.1876 65 V 4.3683 8.7820 127.3043 61.9402 33.4275 174.6072 66 R 5.0341 8.9302 127.3891 54.6829 32.3004 175.1443 67 L 4.7131 8.9796 124.6904 52.6564 44.7356 177.5098 *69 G 3.7157 8.2324 107.5370 45.4852 0.0000 172.8668 70 E 4.4848 8.2608 118.2128 55.3440 30.3563 174.2318 71 D 4.7666 7.8685 117.2950 55.0580 43.9833 174.2560 72 N 5.0261 8.7444 121.4725 52.6864 39.0527 176.2777 73 I 3.7962 8.4521 120.2620 62.4165 37.8484 176.3925 74 N 4.7346 8.5879 117.9276 53.1476 39.3038 174.9482 75 V 4.3489 7.3396 116.4398 60.6502 34.4105 174.9531 76 V 4.1097 8.4195 126.4830 62.6030 31.1986 175.2050 77 E 4.4903 9.5066 126.8983 55.1192 31.1416 176.8227 78 G 3.9819 8.6102 106.9390 46.1620 0.0000 174.1912 79 N 4.5946 9.0216 117.5155 52.7030 36.5907 174.2990 80 E 4.6890 7.6323 117.1555 56.3174 30.8110 176.3662 81 Q 4.3783 8.9439 120.9627 54.4251 32.8751 173.9577 82 F 5.4981 8.8384 123.2871 56.0757 40.7858 175.4520 83 I 4.6961 8.8303 124.6420 59.3631 41.0511 175.4389 84 S 4.5906 8.7078 122.3112 58.2534 64.2603 173.2273 85 A 4.2505 8.2962 125.6740 52.1992 18.2329 177.7384 86 S 4.3630 9.3538 119.1220 60.7572 63.1878 174.5074 87 K 4.6884 7.5944 116.3587 55.7830 35.7024 174.7164 88 S 5.1670 8.8210 118.0146 57.0821 65.6066 173.6725 89 I 4.3998 9.3329 127.1056 59.5599 38.2896 175.1457 90 V 4.1351 8.1930 127.2462 62.1762 32.6935 175.1824 91 H 3.8236 8.6398 127.2008 55.9490 29.9667 174.2937 92 P 4.2555 0.0000 0.0000 65.6092 31.3399 177.1248 93 S 4.6555 7.9618 111.3489 58.1680 62.6316 173.2812 94 Y 4.2908 8.1833 123.7460 57.6988 38.9531 174.3688 95 N 4.7003 8.1705 125.8940 51.3450 40.0393 175.2413 96 S 3.8729 7.7725 120.1818 59.8045 63.6303 175.2756 97 N 4.3818 8.6568 119.3725 55.8343 38.5680 176.3948 98 T 3.8999 7.7710 105.4093 61.3890 69.6595 175.2974 99 L 3.7805 7.9504 120.6612 55.2457 39.8988 173.9328 100 N 4.4878 7.7689 117.6270 54.6110 39.4924 174.5591 101 N 4.6676 8.6455 119.3642 54.0961 35.8614 175.5233 102 D 4.6468 7.9489 117.8738 52.8772 39.9321 174.3367 103 I 4.7158 7.1367 121.0306 59.3022 42.1554 172.5918 104 M 5.4001 9.2816 127.6324 54.0191 36.2562 173.3393 105 L 5.4415 9.2534 124.7253 53.1394 45.0008 175.3727 106 I 4.9237 9.1241 123.9215 59.4239 40.4050 174.3285 107 K 3.6295 8.6720 129.2418 54.7363 33.4109 175.7205 108 L 4.3686 8.2390 127.9929 54.1210 41.9453 177.2176 109 K 4.0711 8.7194 124.3142 59.0083 32.6556 177.3265 110 S 4.6662 7.7252 112.9894 56.0202 66.7459 173.3413 111 A 4.3976 8.3843 124.5171 51.9842 18.8028 177.3953 112 A 4.3513 8.9783 123.3447 51.7866 19.8601 177.6443 113 S 4.5146 9.0636 116.8491 57.5108 63.2538 174.6029 114 L 4.7546 8.3941 125.3223 54.2505 44.0227 176.7596 115 N 4.4616 8.2098 125.1338 53.5821 41.9068 174.9693 116 S 4.6062 8.7300 111.0052 59.9295 64.1749 176.5475 117 R 4.1307 8.1149 118.5272 57.5043 30.2301 176.9458 118 V 4.5520 7.6541 115.8019 60.9313 34.5391 173.7083 119 A 5.0863 8.5034 127.1117 50.8817 22.9673 175.2456 120 S 5.1342 8.6605 114.0903 57.5828 65.0357 173.1312 121 I 4.4295 8.2324 121.1939 59.3193 39.4406 175.3921 122 S 4.5223 8.3333 123.3733 58.0459 64.2931 173.8151 123 L 4.2709 8.3208 122.7087 53.4443 42.4588 175.3488 124 P 4.5230 0.0000 0.0000 62.9659 32.2614 176.2214 125 T 4.1580 8.2383 108.8998 62.5637 70.0374 174.6912 *127 S 4.7242 7.5625 114.4274 57.9671 64.0274 174.0081 128 C 4.5690 8.4022 117.9249 56.7005 40.7134 173.4055 129 A 4.4329 7.9535 124.5288 51.4123 19.7141 177.7619 130 S 4.2515 8.1060 116.5300 57.6014 64.2606 173.3944 *132 A 4.2123 8.1653 123.8771 53.5270 19.1670 177.3725 133 G 3.9680 9.1621 110.3758 45.2793 0.0000 174.2967 134 T 3.9735 7.4394 117.2110 63.6397 69.4314 173.4389 135 Q 4.6028 8.5884 127.6830 55.9337 30.0918 175.3322 136 C 5.2728 9.3351 122.6588 55.1645 46.4884 172.2991 137 L 5.1705 9.0638 122.6751 53.5484 44.0020 175.0350 138 I 5.2981 9.1528 127.3329 58.8032 40.0402 174.8446 139 S 4.9168 8.6368 119.3922 56.4712 66.5390 173.0410 140 G 3.7522 7.3655 108.1160 46.2806 0.0000 173.0660 141 W 4.5540 8.6413 116.8523 56.2551 29.3666 176.9070 142 G 4.1178 8.3235 108.9751 44.2841 0.0000 173.4663 143 N 4.0818 9.0397 118.2604 54.6230 38.9211 174.4814 144 T 5.0932 8.4073 113.4846 60.5756 69.4850 174.2275 145 K 4.5400 7.7984 121.8760 54.7584 34.1348 176.2689 146 S 4.1778 8.7448 118.4900 60.3435 62.6664 173.8517 147 S 4.4787 8.0031 115.4084 59.7814 65.0308 171.6330 148 G 3.8998 9.0689 112.9315 44.1746 0.0000 171.4813 149 T 4.5915 8.0355 115.1396 62.2671 72.7762 174.2457 150 S 4.1885 9.0139 121.4831 57.9190 65.0336 172.2410 151 Y 4.9407 8.3188 125.9163 56.1256 38.6613 174.3841 152 P 4.6597 0.0000 0.0000 62.4934 32.9026 176.1398 153 D 4.5524 8.8020 118.9448 56.9731 41.2772 177.2988 154 V 5.4332 7.4159 109.7377 58.8479 33.9951 175.8015 155 L 3.1663 8.2243 124.7570 55.0044 42.9584 175.9876 156 K 4.8313 8.1844 125.1725 54.9477 35.0054 174.6443 157 C 5.2501 8.5906 119.5281 55.2300 42.3162 173.0396 158 L 4.8644 8.4968 122.4802 54.0036 45.6013 174.2980 159 K 5.1251 9.0117 125.8042 55.4551 33.3503 175.9129 160 A 4.9235 9.3688 126.0343 49.0868 23.1778 173.2294 161 P 5.0905 0.0000 0.0000 61.5764 34.1938 174.8782 162 I 4.3479 8.1643 122.7560 61.3121 38.0213 175.8167 163 L 4.7734 8.7740 127.7438 53.4424 43.1747 177.1053 164 S 4.3471 8.4643 115.1333 58.1739 63.9820 175.1008 165 D 4.4438 8.7787 122.2143 57.5559 40.5669 179.2293 166 S 4.1487 8.0432 114.2976 61.7651 63.0087 176.7082 167 S 4.1526 7.9017 119.1183 61.0641 62.5315 175.8643 168 C 4.3129 8.3139 121.2594 59.8410 42.4787 175.9354 169 K 3.9918 8.5386 120.2452 59.2994 31.3355 179.6683 170 S 4.1731 8.0454 115.0030 61.4311 62.7956 176.1438 171 A 4.0403 7.8629 122.7256 53.8638 19.7785 177.3930 172 Y 4.8344 7.8566 114.3083 55.0214 38.3691 172.5706 173 P 4.5650 0.0000 0.0000 63.4657 32.0915 177.9316 174 G 3.9833 9.0373 109.4539 46.0160 0.0000 173.5952 175 Q 4.5113 8.0321 116.4296 55.4383 30.6435 175.5652 176 I 4.3150 7.8809 119.4896 60.2191 37.9199 175.6167 177 T 4.5110 8.2543 116.1889 59.8062 70.6407 175.4830 178 S 4.3393 8.5258 115.1205 60.4075 63.1703 174.4021 179 N 4.9625 8.2315 118.8130 53.3693 38.4380 173.8514 180 M 5.6128 7.8672 116.8217 53.9612 36.4755 174.4531 181 F 5.1045 8.7291 114.2201 56.0810 41.9323 172.5372 182 C 5.4548 9.0641 116.8927 55.8969 41.1946 172.5598 183 A 5.0366 9.1449 122.2435 50.9985 22.4196 175.7130 184A G 3.7035 6.9618 107.8084 44.7717 0.0000 172.5958 184 Y 4.6497 8.3918 119.5047 55.9933 41.2513 176.4502 185 L 4.1942 8.6827 125.1255 57.3368 41.9826 178.4850 186 E 4.0714 8.2733 114.6692 56.4175 30.0564 177.3756 187 G 3.8397 7.8953 108.1393 45.2665 0.0000 172.4331 188A G 4.0932 9.4171 105.4713 44.6594 0.0000 173.6641 188 K 5.4949 7.1871 117.0866 53.7457 35.5864 175.3251 189 D 4.6376 8.3518 122.6506 53.8513 44.6042 174.8133 190 S 4.8962 8.8607 116.4231 58.1760 64.9210 173.3932 191 C 4.8109 9.5680 119.8283 55.1263 43.3100 172.6278 192 Q 4.2619 8.7537 118.9728 57.9448 28.3645 178.0841 193 G 4.5011 9.2455 110.6650 45.7988 0.0000 174.0168 194 D 4.6816 8.6059 119.0704 55.4313 41.7532 176.7779 195 S 4.4770 8.1034 115.2999 60.4082 63.4534 175.5779 196 G 4.1650 8.8983 112.1304 46.4832 0.0000 173.8512 197 G 4.3424 7.7983 107.3847 45.2486 0.0000 171.2437 198 P 5.1061 0.0000 0.0000 62.4243 33.4424 175.7351 199 V 4.5329 8.4676 121.0145 61.3642 33.9444 173.6774 200 V 4.7637 8.7182 128.5591 61.2415 33.7743 173.7137 201 C 5.1103 8.6749 124.6947 55.5571 43.7717 174.5912 202 S 3.4263 9.7527 120.4303 59.7423 60.0306 173.3153 203 G 3.9124 8.4865 104.7745 45.6528 0.0000 173.9920 204 K 4.6718 7.5384 118.2109 53.1044 34.8880 175.4320 *209 L 4.2919 8.2769 123.2323 55.4153 42.2069 175.8127 210 Q 4.5040 8.8509 125.9710 56.7302 30.7381 175.7982 211 G 5.3291 7.9705 104.6356 45.9330 0.0000 171.5335 212 I 5.2117 8.1918 119.7188 58.8434 41.0137 175.3910 213 V 3.7441 8.8261 127.3429 64.0745 31.7670 174.0317 214 S 4.9455 8.5674 121.0507 58.3960 64.5294 174.6308 215 W 5.0660 7.5140 113.7742 55.8058 32.2144 172.6433 216 G 3.8973 8.4190 106.3076 46.4729 0.0000 173.5039 217 S 4.6280 8.6124 115.6270 56.8285 61.8238 172.8717 *219 G 4.4753 7.9226 117.8554 45.5144 0.0000 170.5281 220 C 4.9942 8.1618 115.4234 56.4892 44.7609 173.7759 221A A 4.0107 9.2480 125.9312 53.1401 16.8140 176.8270 221 Q 4.6627 7.3151 117.2367 55.9140 30.0148 175.9060 222 K 4.1800 8.4837 122.0152 58.1341 32.5740 176.1667 223 N 4.2844 9.3942 121.9379 54.0894 36.9566 175.3198 224 K 4.3318 7.6221 116.4175 53.7940 32.3652 173.9517 225 P 4.6050 0.0000 0.0000 62.0886 33.1420 177.6039 226 G 3.5888 8.4320 106.4734 46.2311 0.0000 172.6499 227 V 4.3803 7.6145 121.9261 60.7284 34.0198 174.1757 228 Y 4.8295 8.3204 123.9015 56.0065 42.4043 174.8498 229 T 4.4076 8.4856 119.4542 63.5328 70.0620 174.3679 230 K 5.0645 9.3536 128.1801 55.3986 31.6974 177.1934 231 V 3.9120 8.7154 126.5916 66.0006 31.3743 174.9957 232 C 4.5694 8.3762 112.5496 58.4077 41.4348 174.8949 233 N 4.2468 8.0642 117.0095 54.4505 38.5653 175.0195 234 Y 4.7837 8.1344 117.6934 57.4636 39.4199 177.4599 235 V 3.6685 8.1304 121.2422 66.3873 31.4840 177.9849 236 S 4.1383 8.1052 114.1497 61.3551 62.7680 176.3488 237 W 4.1544 8.3052 130.4953 60.4608 30.5110 177.8375 238 I 3.1971 8.3939 120.1121 64.2534 36.6031 178.5528 239 K 3.7480 7.9792 119.1345 59.6166 31.6514 179.5295 240 Q 3.9014 7.7999 117.1059 59.0220 28.7192 178.6957 241 T 3.7020 7.4021 116.7896 66.4171 68.3694 176.9360 242 I 2.6055 7.1758 121.5146 63.9789 36.7753 178.3460 243 A 3.9665 7.5836 120.2173 54.7679 18.2322 178.9016 244 S 4.5008 7.3520 111.0393 58.9048 63.3965 174.1737 245 N 4.6990 7.9375 124.7564 53.4005 39.1269 174.0467 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 16 I 7.88 4.30 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.90 0.87 0.00 0.00 17 V 8.74 4.26 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 1.00 0.00 0.00 0.96 0.00 0.00 18 G 8.43 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.79 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 0.00 0.00 0.00 0.00 20 Y 7.76 4.97 0.00 2.96 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 21 T 8.59 4.30 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 1.22 0.00 0.00 22 C 8.56 4.27 0.00 2.75 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 23 G 8.59 4.01 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 0.00 0.00 0.00 24 A 8.49 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.86 4.27 0.00 2.87 2.91 0.00 0.00 7.08 7.54 0.00 0.00 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 T 7.59 4.20 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 1.34 0.00 0.00 27 V 7.06 4.06 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 0.31 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.33 0.00 2.39 2.40 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 29 Y 6.77 5.06 0.00 3.27 3.42 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 30 Q 7.24 4.59 0.00 1.81 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 1.92 2.51 0.00 31 V 8.97 4.88 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 0.86 0.00 0.00 0.97 0.00 0.00 32 S 8.80 4.91 0.00 3.09 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 33 L 8.51 4.53 0.00 0.48 0.91 0.76 0.20 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 34 N 8.69 5.63 0.00 2.46 2.43 0.00 0.00 7.04 7.52 0.00 0.00 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 S 8.39 4.19 0.00 3.29 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 38 G 9.19 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 0.00 0.00 0.00 39 Y 6.60 4.50 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.90 4.61 0.00 2.86 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.60 5.05 0.00 3.06 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 42 C 6.79 4.67 0.00 2.19 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.72 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.83 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.71 5.44 0.00 3.82 3.83 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 0.00 0.00 0.00 0.00 46 L 9.25 4.83 0.00 1.86 1.68 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.63 4.36 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.90 0.96 0.00 0.00 48 N 7.67 4.73 0.00 3.00 3.00 0.00 0.00 6.02 8.10 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 49 S 8.66 4.22 0.00 4.20 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 0.00 50 Q 9.21 4.55 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 1.81 2.16 0.00 51 W 8.50 5.50 0.00 3.35 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 52 V 9.12 4.97 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 1.09 0.00 0.00 0.98 0.00 0.00 53 V 8.89 4.90 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 1.03 0.00 0.00 1.02 0.00 0.00 54 S 9.08 5.17 0.00 3.88 3.69 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 55 A 8.47 4.43 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 0.00 0.00 0.00 0.00 0.00 56 A 8.37 3.80 0.28 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 0.00 0.00 57 H 8.12 4.46 0.00 3.38 3.57 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.77 4.65 0.00 3.20 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 59 Y 7.81 4.19 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 6.67 3.62 0.00 1.48 1.34 0.00 0.87 0.00 0.00 1.31 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 0.94 7.81 61 S 8.17 4.24 0.00 3.93 3.83 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 0.00 0.00 0.00 0.00 62 G 8.29 3.70 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 0.00 0.00 0.00 63 I 7.48 4.21 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.70 0.91 0.00 0.00 64 Q 8.92 4.80 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 65 V 8.78 4.37 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 0.97 0.00 0.00 0.89 0.00 0.00 66 R 8.93 5.03 0.00 1.50 1.70 0.00 2.63 0.00 0.00 2.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.14 0.00 67 L 8.98 4.71 0.00 1.68 1.65 1.04 1.04 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 *69 G 8.23 3.72 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 0.00 0.00 0.00 70 E 8.26 4.48 0.00 2.13 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 2.35 2.06 0.00 71 D 7.87 4.77 0.00 2.78 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 72 N 8.74 5.03 0.00 2.86 2.85 0.00 0.00 7.18 7.76 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 73 I 8.45 3.80 1.41 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 -0.53 0.00 0.00 74 N 8.59 4.73 0.00 2.83 2.89 0.00 0.00 6.64 7.28 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 75 V 7.34 4.35 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 0.78 0.00 0.00 0.95 0.00 0.00 76 V 8.42 4.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 77 E 9.51 4.49 0.00 1.95 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 0.00 2.25 2.43 0.00 78 G 8.61 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 79 N 9.02 4.59 0.00 2.93 3.12 0.00 0.00 7.03 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 80 E 7.63 4.69 0.00 1.57 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 2.55 2.46 0.00 81 Q 8.94 4.38 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 82 F 8.84 5.50 0.00 2.80 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 83 I 8.83 4.70 1.87 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 1.25 0.77 0.94 0.00 0.00 84 S 8.71 4.59 0.00 3.75 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 85 A 8.30 4.25 1.26 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 0.00 0.00 86 S 9.35 4.36 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.59 4.69 0.00 1.86 1.83 0.00 1.49 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.48 7.81 88 S 8.82 5.17 0.00 4.12 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.33 4.40 2.06 0.00 0.00 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 1.24 1.01 1.08 0.00 0.00 90 V 8.19 4.14 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 0.65 0.00 0.00 0.73 0.00 0.00 91 H 8.64 3.82 0.00 2.86 3.05 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.26 0.00 2.05 2.15 0.00 3.17 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 93 S 7.96 4.66 0.00 3.91 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.18 4.29 0.00 3.08 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 95 N 8.17 4.70 0.00 2.60 2.45 0.00 0.00 6.58 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 96 S 7.77 3.87 0.00 3.96 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.66 4.38 0.00 2.68 2.78 0.00 0.00 6.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.77 3.90 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 99 L 7.95 3.78 0.00 1.43 1.84 0.28 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.77 4.49 0.00 2.82 2.65 0.00 0.00 7.23 6.08 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 0.00 101 N 8.65 4.67 0.00 2.93 2.63 0.00 0.00 7.22 8.06 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 0.00 102 D 7.95 4.65 0.00 3.06 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 0.00 103 I 7.14 4.72 1.44 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.08 0.09 0.00 0.00 104 M 9.28 5.40 0.00 2.21 1.81 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 105 L 9.25 5.44 0.00 1.80 1.90 0.31 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.12 4.92 1.91 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 1.20 0.95 0.93 0.00 0.00 107 K 8.67 3.63 0.00 0.79 1.12 0.00 1.29 0.00 0.00 1.37 0.00 0.00 2.64 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.74 0.21 7.81 108 L 8.24 4.37 0.00 1.43 1.57 0.95 0.86 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 0.00 109 K 8.72 4.07 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.38 7.81 110 S 7.73 4.67 0.00 3.81 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.40 1.22 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 0.00 112 A 8.98 4.35 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 0.00 113 S 9.06 4.51 0.00 3.75 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 0.00 114 L 8.39 4.75 0.00 1.66 1.62 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.21 4.46 0.00 2.74 1.82 0.00 0.00 6.80 8.11 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 0.00 116 S 8.73 4.61 0.00 4.00 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 0.00 117 R 8.11 4.13 0.00 1.91 2.05 0.00 3.32 0.00 0.00 3.34 7.39 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.56 4.72 0.00 4.00 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 0.00 128 C 8.40 4.57 0.00 2.94 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 0.00 129 A 7.95 4.43 1.04 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 0.00 0.00 0.00 0.00 0.00 130 S 8.11 4.25 0.00 3.84 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 *132 A 8.17 4.21 1.23 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 0.00 0.00 133 G 9.16 3.97 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 0.00 0.00 0.00 134 T 7.44 3.97 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 135 Q 8.59 4.60 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 136 C 9.34 5.27 0.00 2.79 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 0.00 137 L 9.06 5.17 0.00 1.75 1.57 0.98 1.18 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 0.00 138 I 9.15 5.30 1.88 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 0.76 1.59 0.96 0.00 0.00 139 S 8.64 4.92 0.00 3.50 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 0.00 140 G 7.37 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 0.00 141 W 8.64 4.55 0.00 3.09 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 0.00 0.00 142 G 8.32 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 0.00 0.00 0.00 143 N 9.04 4.08 0.00 2.53 2.75 0.00 0.00 7.13 7.69 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 0.00 144 T 8.41 5.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 145 K 7.80 4.54 0.00 1.80 1.70 0.00 1.60 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.41 7.81 146 S 8.74 4.18 0.00 3.83 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 0.00 147 S 8.00 4.48 0.00 3.84 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 0.00 148 G 9.07 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 0.00 149 T 8.04 4.59 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 0.90 0.00 0.00 150 S 9.01 4.19 0.00 3.77 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 0.00 151 Y 8.32 4.94 0.00 2.99 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 0.00 152 P 0.00 4.66 0.00 2.45 2.11 0.00 4.17 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 153 D 8.80 4.55 0.00 2.80 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 0.00 154 V 7.42 5.43 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 1.11 0.00 0.00 0.97 0.00 0.00 155 L 8.22 3.17 0.00 1.15 1.25 -0.54 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.18 4.83 0.00 1.67 1.51 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.48 7.81 157 C 8.59 5.25 0.00 1.56 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 0.00 0.00 0.00 158 L 8.50 4.86 0.00 1.71 1.46 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 159 K 9.01 5.13 0.00 1.82 1.83 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.66 7.81 160 A 9.37 4.92 1.21 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 0.00 0.00 161 P 0.00 5.09 0.00 2.01 2.21 0.00 3.07 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 162 I 8.16 4.35 1.73 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 1.01 0.47 0.69 0.00 0.00 163 L 8.77 4.77 0.00 1.56 1.60 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.46 4.35 0.00 4.00 3.99 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 0.00 165 D 8.78 4.44 0.00 2.81 2.79 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 0.00 166 S 8.04 4.15 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.90 4.15 0.00 3.98 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 0.00 168 C 8.31 4.31 0.00 3.20 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 0.00 169 K 8.54 3.99 0.00 1.92 1.90 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.69 7.81 170 S 8.05 4.17 0.00 4.01 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 0.00 171 A 7.86 4.04 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 0.00 172 Y 7.86 4.83 0.00 3.11 3.04 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 0.00 0.00 0.00 173 P 0.00 4.56 0.00 2.22 2.11 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 174 G 9.04 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 0.00 175 Q 8.03 4.51 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 176 I 7.88 4.32 1.98 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 1.85 0.93 1.00 0.00 0.00 177 T 8.25 4.51 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 1.25 0.00 0.00 178 S 8.53 4.34 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.23 4.96 0.00 3.09 3.11 0.00 0.00 6.60 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 M 7.87 5.61 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 181 F 8.73 5.10 0.00 3.08 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 0.00 182 C 9.06 5.45 0.00 3.00 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 0.00 183 A 9.14 5.04 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 184A G 6.96 3.70 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 0.00 0.00 0.00 184 Y 8.39 4.65 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.68 4.19 0.00 1.74 1.89 0.92 0.88 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 0.00 186 E 8.27 4.07 0.00 2.10 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 2.33 2.27 0.00 187 G 7.90 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 0.00 0.00 0.00 188A G 9.42 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 0.00 0.00 0.00 188 K 7.19 5.49 0.00 1.49 1.68 0.00 0.69 0.00 0.00 1.98 0.00 0.00 2.37 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 0.98 7.81 189 D 8.35 4.64 0.00 2.83 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.86 4.90 0.00 4.01 4.01 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 0.00 191 C 9.57 4.81 0.00 2.93 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 0.00 192 Q 8.75 4.26 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.51 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 193 G 9.25 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 0.00 0.00 0.00 0.00 194 D 8.61 4.68 0.00 2.94 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 0.00 195 S 8.10 4.48 0.00 4.00 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 0.00 196 G 8.90 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.80 4.34 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 0.00 198 P 0.00 5.11 0.00 2.32 2.36 0.00 3.76 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 199 V 8.47 4.53 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 0.84 0.00 0.00 0.55 0.00 0.00 200 V 8.72 4.76 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 0.69 0.00 0.00 0.66 0.00 0.00 201 C 8.67 5.11 0.00 2.81 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 0.00 202 S 9.75 3.43 0.00 3.96 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 0.00 203 G 8.49 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 0.00 204 K 7.54 4.67 0.00 1.84 1.65 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.40 7.81 *209 L 8.28 4.29 0.00 1.51 1.64 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.85 4.50 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.37 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 211 G 7.97 5.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.19 5.21 1.92 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 1.29 1.10 0.92 0.00 0.00 213 V 8.83 3.74 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 1.01 0.00 0.00 1.17 0.00 0.00 214 S 8.57 4.95 0.00 3.89 3.77 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 0.00 215 W 7.51 5.07 0.00 3.35 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 0.00 216 G 8.42 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 0.00 217 S 8.61 4.63 0.00 4.37 3.99 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 *219 G 7.92 4.48 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 0.00 220 C 8.16 4.99 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221A A 9.25 4.01 1.38 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 0.00 0.00 0.00 221 Q 7.32 4.66 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 222 K 8.48 4.18 0.00 1.72 1.72 0.00 1.94 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.60 1.42 7.81 223 N 9.39 4.28 0.00 2.82 2.82 0.00 0.00 6.80 8.13 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 0.00 224 K 7.62 4.33 0.00 1.71 1.76 0.00 1.48 0.00 0.00 1.18 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.47 7.81 225 P 0.00 4.61 0.00 2.14 2.10 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 226 G 8.43 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 0.00 227 V 7.61 4.38 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 -0.86 0.00 0.00 228 Y 8.32 4.83 0.00 1.43 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.49 4.41 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 1.19 0.00 0.00 230 K 9.35 5.06 0.00 2.14 1.93 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.67 7.81 231 V 8.72 3.91 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 1.07 0.00 0.00 1.09 0.00 0.00 232 C 8.38 4.57 0.00 3.17 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 0.00 233 N 8.06 4.25 0.00 2.50 2.36 0.00 0.00 6.82 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 0.00 234 Y 8.13 4.78 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 0.00 235 V 8.13 3.67 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 1.09 0.00 0.00 1.07 0.00 0.00 236 S 8.11 4.14 0.00 3.98 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 0.00 237 W 8.31 4.15 0.00 3.53 3.62 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 0.00 238 I 8.39 3.20 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.92 0.76 0.00 0.00 239 K 7.98 3.75 0.00 1.73 1.76 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.50 7.81 240 Q 7.80 3.90 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 241 T 7.40 3.70 3.45 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 0.78 0.00 0.00 242 I 7.18 2.61 1.33 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.24 0.31 0.00 0.00 243 A 7.58 3.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 S 7.35 4.50 0.00 3.73 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 0.00 245 N 7.94 4.70 0.00 3.05 2.97 0.00 0.00 6.78 7.69 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 * Residues marked with a * may have inaccurate shift predictions.