NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3636 8.3344 115.4183 58.0439 64.4361 173.0800 3 Y 4.2211 8.4687 124.1928 57.4502 38.3638 173.9085 4 D 4.7088 8.5059 126.4856 53.5354 42.8073 176.4294 5 R 3.5280 6.7285 119.9900 56.4851 30.3113 175.0815 6 A 4.5995 8.1636 126.7194 51.3295 18.9784 177.3660 7 I 3.8782 8.3279 124.0711 64.1810 37.7281 176.7443 8 T 4.3984 7.6056 116.7575 61.9015 69.2497 174.2766 9 V 4.4843 7.8037 118.5388 59.1382 35.7580 175.4351 10 F 4.5977 8.6025 119.8128 57.6301 39.7088 175.1294 11 S 4.9589 8.4585 118.5690 56.0064 65.9064 174.0229 12 P 4.1695 0.0000 0.0000 65.8639 30.9567 177.2370 13 D 4.6158 8.1950 113.6896 53.1514 39.7803 176.4162 14 G 3.9578 8.8054 108.1177 46.7969 0.0000 173.2377 15 H 5.0828 8.2964 114.8228 53.7884 31.5624 173.9591 16 L 5.0928 7.7524 121.9556 52.1948 41.3382 176.8343 17 F 3.4177 8.6403 121.7867 60.6635 39.0697 176.9239 18 Q 3.2942 7.9266 116.3992 58.5491 28.3350 179.1639 19 V 3.6545 7.8054 119.7032 65.7654 31.7505 177.9305 20 E 4.0678 7.8163 117.7210 59.5128 29.2301 178.8860 21 Y 4.3826 8.8970 117.9564 60.8762 38.0691 177.8871 22 A 4.0638 7.8869 121.4621 55.5291 18.6057 179.7084 23 Q 4.0529 8.6080 116.7538 59.1068 28.6693 179.2098 24 E 4.0015 8.0909 119.2268 59.3248 29.3151 179.0760 25 A 4.0560 7.8121 119.8156 55.0583 18.6588 179.5436 26 V 3.9005 7.8730 119.1526 66.6473 31.0936 178.9422 27 K 4.0215 7.8191 122.9631 59.8012 31.2735 180.7430 28 K 4.6787 7.8283 115.6735 55.9254 31.8865 176.8969 29 G 4.2258 7.2596 107.5353 44.1340 0.0000 173.7841 30 S 4.7605 8.5586 116.7800 58.9325 63.2666 174.7399 31 T 4.2312 8.5832 121.1739 64.4673 70.0471 172.9116 32 A 4.9151 8.6638 124.2294 51.2112 23.1134 175.9694 33 V 4.8720 8.6081 115.7444 59.6991 36.0079 175.1039 34 G 4.4589 9.1326 108.8146 45.0541 0.0000 172.2380 35 V 4.8213 8.6882 116.2447 59.2617 35.8996 174.6934 36 R 4.3525 8.9228 125.9513 54.7671 30.3221 175.7935 37 G 4.2058 8.0330 123.1242 45.8125 0.0000 173.7146 38 R 4.6517 8.5949 117.6116 55.6532 32.5041 175.3846 39 D 4.9773 7.9578 117.0710 54.3604 42.5958 176.1922 40 I 4.5236 7.4501 116.4946 60.4163 39.5754 178.9690 41 V 4.5358 8.6055 130.1324 61.4214 33.5473 175.6188 42 V 4.6356 8.5049 127.6673 60.5146 35.9561 173.9170 43 L 5.1341 8.4393 120.9140 54.3316 45.8446 176.1103 44 G 4.3260 8.8685 108.9751 43.9321 0.0000 171.7806 45 V 4.3918 8.3421 125.9782 60.3780 32.9689 176.6708 46 E 4.2430 9.1684 129.1509 58.5781 30.7886 176.5182 47 K 4.6903 7.5846 116.4717 59.1397 27.8128 173.4897 48 K 4.1448 8.9016 121.7917 56.0421 32.4361 181.2118 49 S 3.6906 7.6743 116.5240 60.8878 59.0697 179.4917 50 V 3.9943 7.1379 125.7730 61.3914 29.3279 178.4853 51 A 4.2541 8.0567 124.4589 51.8461 18.6254 179.5204 52 K 3.9093 8.2267 121.7973 59.0271 31.8109 177.9943 53 L 4.3163 7.8094 116.7940 56.2127 41.7933 181.3914 54 Q 4.5137 7.3205 120.1271 55.8415 27.7017 183.2873 55 D 4.4293 8.9856 109.5337 56.5396 41.5118 178.1749 56 E 3.4552 7.1890 117.6948 57.2315 31.6213 178.2808 57 R 3.8900 8.2494 118.6818 59.7982 30.4617 180.5355 58 T 4.0787 7.5666 107.6803 60.7823 67.7497 174.5707 59 V 4.7524 6.7287 123.1895 62.7480 34.1780 171.5685 60 R 3.9876 7.3964 122.8228 57.1456 29.4649 178.6767 61 K 4.3416 8.6441 123.0377 54.8070 31.1074 172.1272 62 I 5.0609 7.9755 120.6707 60.7595 39.8155 174.9769 63 C 4.9479 9.4160 122.8987 58.2812 33.1162 172.5999 64 A 4.8847 8.5706 122.3747 50.7832 20.1274 176.6179 65 L 4.3887 8.4917 121.0489 55.8861 43.3039 175.7669 66 D 4.7908 7.5056 115.1451 53.3724 43.6760 173.9375 67 D 4.6883 8.8554 118.9173 55.6210 41.3396 177.0415 68 N 5.0383 7.9631 113.8830 51.5387 40.0518 179.1422 69 V 4.9877 7.3010 116.5982 62.9250 35.8574 173.0690 70 C 5.2870 8.8215 118.5914 58.2056 33.4936 171.9969 71 M 5.3224 9.5297 116.2944 54.4220 34.7120 173.3695 72 A 5.4090 9.5139 120.8130 49.1228 22.9883 174.8869 73 F 5.4507 8.2006 113.0792 55.5177 42.2682 173.8859 74 A 4.2831 9.1284 120.0017 50.3935 21.9113 175.8051 75 G 3.8905 8.9505 111.6801 45.0193 0.0000 172.0397 76 L 4.0059 8.2660 123.9961 55.3708 42.0260 177.4644 77 T 3.8821 9.0233 118.4738 65.4520 67.1003 175.2690 78 A 3.9650 8.0508 121.7604 55.3513 18.3698 178.9930 79 D 4.3742 8.1277 116.3710 57.5780 40.9179 178.4381 80 A 3.5462 7.3273 120.6865 55.2847 17.9582 179.1947 81 R 3.8123 7.3641 116.3945 59.8375 29.9150 178.2195 82 I 3.6274 7.3588 119.2044 64.7680 37.3114 178.5745 83 V 3.3026 7.6153 120.9565 66.3897 31.2102 178.5299 84 I 3.6196 8.1647 120.6818 65.2951 34.9257 179.8798 85 N 4.7225 8.4178 117.3592 54.8105 38.3073 177.3166 86 R 4.1600 7.6047 120.2129 58.4702 30.5095 178.4855 87 A 3.9579 7.9610 120.5894 54.8508 18.0967 179.8133 88 R 3.9446 8.0445 116.7760 59.4399 30.1959 179.3710 89 V 3.5607 7.3480 116.7180 66.1110 31.5799 177.6244 90 E 3.7691 8.1196 118.9190 59.2668 28.9649 178.6030 91 C 4.0631 7.7877 116.2496 63.0451 28.6691 175.8637 92 Q 4.1194 7.7716 119.2790 58.8096 28.2998 178.6275 93 S 4.2602 8.2150 115.8284 60.9575 62.4235 175.4716 94 H 4.3660 8.2334 120.4741 57.8610 29.4038 176.4835 95 R 4.3836 7.4493 117.6973 57.8860 30.4849 177.9175 96 L 4.2310 7.6265 118.0723 57.1059 42.0122 178.8491 97 T 4.0229 7.5418 108.6561 63.7723 69.3194 175.0679 98 V 4.1410 6.7589 118.6694 60.6514 33.5860 174.3372 99 E 4.4772 8.2889 120.7426 57.3092 30.7428 175.7334 100 D 4.5222 7.6992 117.0828 53.2241 41.5559 174.0598 101 P 4.5320 0.0000 0.0000 62.0268 33.1778 175.3065 102 V 3.8990 7.9962 117.7705 62.3089 32.1393 176.3125 103 T 4.3358 8.0435 116.7683 60.6357 69.8631 175.8183 104 V 3.5391 8.2934 120.5017 66.2672 32.0846 177.5798 105 E 3.1254 8.4293 119.4699 59.7101 29.5741 177.9178 106 Y 3.8434 8.2845 119.7406 60.8025 38.9949 178.1993 107 I 3.6167 7.6066 119.1251 64.2818 37.9903 178.1549 108 T 3.6626 7.0927 116.3197 66.3627 68.2538 176.5195 109 R 2.9011 7.6926 120.9192 59.2736 30.0087 177.5770 110 Y 3.7429 7.7312 119.4942 60.9391 38.6694 178.4733 111 I 3.5111 7.6750 120.1918 64.0989 37.1683 178.3220 112 A 3.9436 7.9681 121.8990 55.2269 18.2468 179.6086 113 S 4.0666 8.3727 111.9860 61.1935 62.3366 176.2061 114 L 3.8535 7.4836 123.0022 58.0120 41.6292 179.1046 115 K 4.2252 7.7711 116.9303 59.5406 32.2544 178.6388 116 Q 4.2778 8.5817 120.0902 59.4278 28.8607 178.5010 117 R 3.9896 8.0938 118.8423 59.7438 29.9820 178.3588 118 Y 4.1967 8.0731 111.2290 58.9138 37.5507 176.5007 119 T 4.5245 7.8550 108.8761 61.5351 69.4530 174.4046 120 Q 4.4632 8.3846 121.2441 56.0650 30.3372 173.9742 121 S 4.6728 7.7257 111.2728 55.7187 65.6842 173.9458 122 N 4.3293 8.4087 121.7763 54.5845 38.8466 176.6448 123 G 3.9643 8.8997 108.6727 46.1275 0.0000 174.0760 124 R 4.5735 7.1698 117.7999 54.2972 32.4525 175.3297 125 R 4.5687 8.0264 119.6899 53.8956 32.1994 174.0956 126 P 4.6139 0.0000 0.0000 61.8380 32.2873 175.8350 127 F 4.5431 8.3862 118.7316 57.3707 40.1369 177.4650 128 G 4.2347 9.4097 117.1861 44.3472 0.0000 172.7180 129 I 5.1917 7.3469 110.5637 60.0652 41.1288 176.0095 130 S 5.1304 8.8190 119.1147 57.1635 66.4177 172.9142 131 A 5.0728 9.0166 122.6747 50.4046 22.9403 175.3304 132 L 5.0305 9.2274 121.9781 53.3275 43.7604 175.4424 133 I 4.8267 8.9667 126.1846 59.7903 39.2184 175.4720 134 V 4.7582 9.9901 126.3801 60.3190 35.2432 174.5272 135 G 4.6949 7.5796 118.1516 46.8409 0.0000 171.8886 *136 F 5.0718 8.3020 122.3620 55.3816 39.9508 178.9936 137 D 4.7848 9.7370 128.3336 53.4593 37.1597 172.4250 *138 F 3.6345 7.4864 121.2545 56.7707 38.5091 176.9846 139 D 4.5968 9.2451 125.6312 53.1310 36.8520 170.5010 140 G 3.9943 7.2312 111.2523 47.4767 0.0000 174.6959 141 T 4.2816 7.9360 112.1262 59.5200 69.4788 167.3217 142 P 4.9409 0.0000 0.0000 62.9852 32.1172 175.5212 143 R 4.7943 8.6724 121.5584 54.2094 34.0106 174.6033 144 L 5.1898 8.0176 121.2922 53.8735 45.6336 174.6700 145 Y 5.5381 9.4422 124.9509 57.2162 42.8126 174.8403 146 Q 5.9275 9.7220 120.2675 53.4800 33.0661 175.2276 147 T 5.3579 8.7455 110.0029 58.8935 72.7691 172.2339 148 D 5.2658 8.5585 121.7074 50.7312 42.8977 174.6232 149 P 4.3209 0.0000 0.0000 65.7249 31.4112 178.1241 150 S 4.1032 8.3000 111.7476 60.0817 62.5942 175.3478 151 G 4.0677 8.3887 107.8064 45.0330 0.0000 173.5837 152 T 4.3884 7.9680 110.7522 61.1688 69.9702 173.4502 153 Y 5.3893 7.4293 119.1371 55.8346 41.2022 173.6406 154 H 5.1431 8.8340 117.0430 54.4163 33.9714 171.7556 155 A 4.5798 8.5527 122.1282 50.7546 19.5879 176.8342 156 W 4.6496 8.7441 124.8047 55.4257 31.7501 177.0460 157 K 4.2248 8.6503 124.6911 57.7458 32.4276 177.4101 158 A 4.6515 7.4809 119.3181 52.8352 21.8717 175.6137 159 N 4.2404 8.4979 117.4307 52.6563 42.7499 174.3014 160 A 5.1932 8.0046 117.7486 51.6916 22.4723 175.6741 161 I 4.3766 9.0833 113.7552 60.2958 41.6394 174.7329 162 G 3.9387 8.9177 110.0677 44.5246 0.0000 173.1441 163 R 4.1691 8.4459 120.0370 57.0677 29.6710 172.8285 164 G 4.0081 9.0733 109.5814 45.2769 0.0000 174.6947 165 A 3.9690 8.0200 126.0858 55.4984 17.9444 181.4247 166 K 3.9629 7.9987 121.8431 60.5151 31.8002 183.1362 167 S 4.3524 8.3238 117.1556 61.1171 62.7521 176.6348 168 V 3.8351 8.0271 122.8856 67.1316 31.1591 179.3361 169 R 4.0280 8.3020 122.7060 62.0321 29.1272 182.4062 170 E 4.2724 8.1971 118.5437 61.0924 29.7132 180.5173 171 F 4.6794 8.8335 121.9824 61.1026 39.6512 176.8988 172 L 3.6523 8.7137 118.7343 58.2470 41.3830 179.5870 173 E 4.2748 8.4204 118.9973 58.5313 29.3281 178.3936 174 K 4.6894 8.6146 121.0542 53.9528 32.5665 182.0006 175 N 4.8642 7.8905 113.8229 53.7770 42.4011 174.0329 176 Y 4.3730 7.9176 120.4651 56.6330 39.3127 174.2732 177 T 4.4989 7.6996 115.5814 60.2307 71.5859 173.0573 178 D 4.3994 8.8158 123.3657 57.9807 41.0557 178.7311 179 E 3.8421 8.1328 116.1934 59.1802 29.6249 176.9680 180 A 3.6830 7.7866 126.1723 54.0388 18.7552 178.0500 181 I 2.9700 8.2635 124.1895 62.0837 31.8968 170.9149 182 E 4.5188 7.9458 117.1163 56.6431 30.7778 178.6319 183 T 4.7908 7.4056 110.4016 59.1279 72.5653 178.9273 184 D 4.6972 9.1271 127.5264 58.1098 40.5368 180.2957 185 D 4.3704 7.9758 120.2324 58.1217 40.2684 180.4742 186 L 4.5165 8.5396 124.0576 57.6375 42.0786 179.4433 187 T 3.9395 7.9725 116.8546 66.7527 68.3267 181.2193 188 I 4.2671 7.6815 124.6606 64.0204 35.3783 180.8441 189 K 4.2787 7.9208 124.2857 60.5891 31.8365 184.0422 190 L 4.1815 7.4788 120.5126 58.1706 41.8290 179.4314 191 V 3.6457 7.9110 119.6992 66.7518 31.6260 178.2415 192 I 3.7904 7.4510 120.9661 65.8503 35.1984 180.7179 193 K 4.2132 8.6000 125.5646 59.5567 31.4600 180.6298 194 A 4.7622 8.7386 123.9125 55.9357 18.6135 179.8103 195 L 4.1469 8.6959 123.1481 60.6550 40.9620 182.1186 196 L 4.4386 8.0877 125.4953 59.7659 40.4623 182.1869 197 E 4.3626 8.4799 117.0253 58.6823 29.3528 180.5694 198 V 4.4163 7.8234 124.8848 62.4916 36.6538 176.9400 199 V 3.8471 8.1459 117.0193 60.5953 31.9279 181.2675 200 Q 4.0916 8.6658 126.0046 55.2655 29.4313 176.8449 201 S 4.2273 8.3156 118.7177 58.8776 63.8272 172.9152 202 G 3.3940 10.2809 117.4343 44.6541 0.0000 176.1395 203 G 3.9892 8.3587 112.1487 46.4299 0.0000 175.3460 204 K 4.3764 7.9301 119.0944 55.0985 31.5084 181.6295 205 N 4.9430 7.9731 115.6968 54.2224 40.1964 174.4278 206 I 4.7845 7.4362 121.6305 60.3188 39.7695 176.8735 207 E 4.8984 7.5830 116.9178 56.9641 29.9583 174.4721 208 L 4.6264 7.7512 127.6892 54.1185 43.9415 177.8939 209 A 4.7970 7.4992 120.3539 54.1018 23.1377 176.0465 210 V 4.9926 7.9680 114.2652 61.1078 37.2367 174.3880 211 M 5.1572 8.5859 122.5261 54.1897 35.3221 174.1963 212 R 4.4567 8.2746 125.2371 55.5730 31.3904 177.1978 213 R 4.1629 8.0892 118.8251 57.4101 28.8980 176.2706 214 D 4.3724 8.5396 126.4787 55.7506 45.7934 176.4858 215 Q 4.2726 8.2008 121.6787 55.4917 30.0136 176.9627 216 S 4.4298 8.2188 115.6739 57.9639 62.7854 172.3672 217 L 4.9433 8.3504 120.6325 56.3674 44.1518 178.3416 218 K 4.4933 8.7776 126.0284 53.7150 35.6265 176.7268 219 I 4.1241 8.4265 127.9291 58.8747 37.2974 176.0701 220 L 4.2177 7.8002 125.8260 55.0062 42.3986 177.3361 221 N 4.7257 8.6621 119.3346 51.2306 38.8406 174.3845 222 P 4.3850 0.0000 0.0000 66.5299 31.0227 178.9866 223 E 4.0368 8.2055 120.8284 61.6915 29.9301 184.4057 224 E 4.4220 8.2634 120.8598 60.6580 29.6547 181.8123 225 I 4.0571 7.6751 121.3442 66.6131 35.9750 184.2121 226 E 4.2474 8.3872 122.6674 61.2724 29.4366 182.3201 227 K 4.3543 8.1203 125.3832 61.0497 31.7649 183.3017 *228 Y 4.6101 7.7196 122.3442 61.1469 35.6233 179.9895 229 V 4.3498 7.9752 118.0157 63.9038 31.9539 182.4166 230 A 4.9992 7.5047 121.6892 54.8186 20.5583 178.8704 231 E 4.1671 8.8081 117.9625 60.7977 30.0293 180.5906 232 I 4.7412 7.6303 115.0765 61.1442 38.4439 183.6564 233 E 4.0753 7.7662 116.3009 59.4898 29.8798 183.7555 234 K 4.3572 8.4121 122.4079 56.6734 32.4884 181.7524 235 E 4.1984 8.2018 114.7840 58.8505 29.8118 181.7570 236 K 4.6639 8.0351 120.3877 55.7448 32.0526 183.3540 237 E 4.7891 8.2654 117.7626 57.5113 33.2402 180.2061 238 E 4.5490 8.4148 113.1557 57.6394 29.6759 182.7398 239 N 5.0199 7.8600 113.8340 54.4891 42.1699 179.7357 240 E 4.7434 8.1911 113.3961 56.9523 32.2162 182.4168 241 K 4.7732 8.4476 117.9567 55.3983 33.7838 183.0147 242 K 4.7509 7.7318 121.3848 55.5767 32.9713 180.8210 243 K 4.7808 7.8852 122.4168 55.8101 34.3747 178.1537 244 Q 4.1968 8.1833 124.4196 56.2218 29.0720 177.5675 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.36 0.00 4.02 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 0.00 3 Y 8.47 4.22 0.00 3.02 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 4 D 8.51 4.71 0.00 2.60 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 5 R 6.73 3.53 0.00 1.24 0.94 0.00 3.25 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 6 A 8.16 4.60 1.19 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 7 I 8.33 3.88 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.93 0.00 0.00 8 T 7.61 4.40 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 1.05 0.00 0.00 9 V 7.80 4.48 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 0.71 0.00 0.00 0.92 0.00 0.00 10 F 8.60 4.60 0.00 3.05 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 11 S 8.46 4.96 0.00 4.23 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 0.00 12 P 0.00 4.17 0.00 2.09 2.16 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 13 D 8.19 4.62 0.00 2.74 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 14 G 8.81 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 0.00 0.00 0.00 15 H 8.30 5.08 0.00 3.16 2.78 0.00 5.57 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.75 5.09 0.00 1.50 1.37 0.65 -0.02 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 17 F 8.64 3.42 0.00 2.77 2.09 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 18 Q 7.93 3.29 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 19 V 7.81 3.65 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 1.04 0.00 0.00 0.84 0.00 0.00 20 E 7.82 4.07 0.00 1.95 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 0.00 2.23 2.33 0.00 21 Y 8.90 4.38 0.00 2.93 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 22 A 7.89 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.61 4.05 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 24 E 8.09 4.00 0.00 2.18 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 2.69 2.52 0.00 25 A 7.81 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 26 V 7.87 3.90 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 1.04 0.00 0.00 1.07 0.00 0.00 27 K 7.82 4.02 0.00 1.82 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.36 7.81 28 K 7.83 4.68 0.00 1.76 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.64 7.81 29 G 7.26 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 0.00 0.00 0.00 0.00 30 S 8.56 4.76 0.00 3.65 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 31 T 8.58 4.23 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 32 A 8.66 4.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.61 4.87 2.06 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 0.81 0.00 0.00 0.98 0.00 0.00 34 G 9.13 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.69 4.82 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 0.79 0.00 0.00 0.98 0.00 0.00 36 R 8.92 4.35 0.00 1.84 2.07 0.00 3.36 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 37 G 8.03 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 0.00 0.00 0.00 38 R 8.59 4.65 0.00 1.76 1.93 0.00 3.14 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 39 D 7.96 4.98 0.00 2.98 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 40 I 7.45 4.52 1.87 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 1.21 0.88 0.91 0.00 0.00 41 V 8.61 4.54 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.97 0.00 0.00 42 V 8.50 4.64 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 0.67 0.00 0.00 0.93 0.00 0.00 43 L 8.44 5.13 0.00 1.29 1.48 0.92 0.98 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 44 G 8.87 4.33 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 45 V 8.34 4.39 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 0.74 0.00 0.00 0.77 0.00 0.00 46 E 9.17 4.24 0.00 1.78 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 2.26 2.15 0.00 47 K 7.58 4.69 0.00 1.49 1.91 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.06 7.81 48 K 8.90 4.14 0.00 1.77 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.39 1.25 7.81 49 S 7.67 3.69 0.00 3.65 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 50 V 7.14 3.99 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 0.66 0.00 0.00 0.93 0.00 0.00 51 A 8.06 4.25 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 52 K 8.23 3.91 0.00 1.93 1.91 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.50 7.81 53 L 7.81 4.32 0.00 1.66 1.57 0.92 0.71 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 54 Q 7.32 4.51 0.00 2.11 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 55 D 8.99 4.43 0.00 2.61 2.52 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 0.00 0.00 0.00 0.00 56 E 7.19 3.46 0.00 1.96 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 2.31 1.93 0.00 57 R 8.25 3.89 0.00 1.80 2.00 0.00 3.32 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 58 T 7.57 4.08 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 1.28 0.00 0.00 59 V 6.73 4.75 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 0.69 0.00 0.00 0.96 0.00 0.00 60 R 7.40 3.99 0.00 1.96 1.92 0.00 3.13 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 61 K 8.64 4.34 0.00 1.68 1.77 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.03 7.81 62 I 7.98 5.06 1.87 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 1.20 0.91 0.91 0.00 0.00 63 C 9.42 4.95 0.00 2.84 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 64 A 8.57 4.88 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 65 L 8.49 4.39 0.00 1.67 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.51 4.79 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.86 4.69 0.00 2.70 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 68 N 7.96 5.04 0.00 2.69 2.64 0.00 0.00 6.42 7.67 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 69 V 7.30 4.99 2.09 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 1.08 0.00 0.00 0.95 0.00 0.00 70 C 8.82 5.29 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 M 9.53 5.32 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 72 A 9.51 5.41 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 73 F 8.20 5.45 0.00 3.07 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 74 A 9.13 4.28 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 0.00 0.00 75 G 8.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.27 4.01 0.00 1.77 1.68 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.02 3.88 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 1.26 0.00 0.00 78 A 8.05 3.96 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 79 D 8.13 4.37 0.00 2.91 2.88 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 80 A 7.33 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.36 3.81 0.00 1.76 2.01 0.00 3.11 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 82 I 7.36 3.63 2.02 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 1.60 0.94 0.95 0.00 0.00 83 V 7.62 3.30 1.80 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 0.69 0.00 0.00 -0.25 0.00 0.00 84 I 8.16 3.62 1.87 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 1.52 0.56 0.91 0.00 0.00 85 N 8.42 4.72 0.00 2.68 2.87 0.00 0.00 7.13 8.52 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 86 R 7.60 4.16 0.00 1.91 2.07 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 87 A 7.96 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.04 3.94 0.00 2.00 1.97 0.00 3.29 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 89 V 7.35 3.56 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 0.98 0.00 0.00 1.02 0.00 0.00 90 E 8.12 3.77 0.00 1.32 1.49 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 1.47 2.06 0.00 91 C 7.79 4.06 0.00 3.20 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 7.77 4.12 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 93 S 8.21 4.26 0.00 3.84 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 94 H 8.23 4.37 0.00 3.21 3.28 0.00 5.59 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.45 4.38 0.00 2.02 1.91 0.00 3.17 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 96 L 7.63 4.23 0.00 1.59 1.70 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.54 4.02 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 98 V 6.76 4.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.79 0.00 0.00 99 E 8.29 4.48 0.00 1.90 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 2.16 2.26 0.00 100 D 7.70 4.52 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.53 0.00 2.16 2.07 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 102 V 8.00 3.90 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 0.90 0.00 0.00 0.92 0.00 0.00 103 T 8.04 4.34 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 1.20 0.00 0.00 104 V 8.29 3.54 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 1.20 0.00 0.00 1.03 0.00 0.00 105 E 8.43 3.13 0.00 1.97 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 2.24 1.97 0.00 106 Y 8.28 3.84 0.00 3.04 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 0.00 107 I 7.61 3.62 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.98 0.00 0.00 108 T 7.09 3.66 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 0.94 0.00 0.00 109 R 7.69 2.90 0.00 1.34 1.67 0.00 2.98 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 110 Y 7.73 3.74 0.00 2.61 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 0.00 111 I 7.67 3.51 1.89 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 1.49 0.93 0.77 0.00 0.00 112 A 7.97 3.94 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 0.00 113 S 8.37 4.07 0.00 3.81 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 0.00 114 L 7.48 3.85 0.00 1.40 1.54 0.97 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.77 4.23 0.00 1.95 2.14 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.57 1.43 7.81 116 Q 8.58 4.28 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 117 R 8.09 3.99 0.00 2.33 2.10 0.00 3.22 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 118 Y 8.07 4.20 0.00 2.94 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 0.00 119 T 7.86 4.52 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 1.28 0.00 0.00 120 Q 8.38 4.46 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 121 S 7.73 4.67 0.00 3.56 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.41 4.33 0.00 2.62 2.70 0.00 0.00 7.09 7.79 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 0.00 123 G 8.90 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 0.00 0.00 0.00 124 R 7.17 4.57 0.00 1.43 1.55 0.00 2.59 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.41 0.00 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158 A 7.48 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 N 8.50 4.24 0.00 2.32 2.64 0.00 0.00 6.95 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.00 5.19 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 9.08 4.38 1.81 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 1.18 0.77 0.74 0.00 0.00 162 G 8.92 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 0.00 0.00 0.00 163 R 8.45 4.17 0.00 1.69 1.77 0.00 3.39 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.43 0.00 164 G 9.07 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 0.00 165 A 8.02 3.97 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 0.00 166 K 8.00 3.96 0.00 1.77 1.83 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.10 7.81 167 S 8.32 4.35 0.00 3.93 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 0.00 168 V 8.03 3.84 2.09 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 0.93 0.00 0.00 0.99 0.00 0.00 169 R 8.30 4.03 0.00 1.86 1.92 0.00 3.33 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 170 E 8.20 4.27 0.00 2.05 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 2.26 2.20 0.00 171 F 8.83 4.68 0.00 3.00 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 0.00 172 L 8.71 3.65 0.00 1.81 1.69 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.42 4.27 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 174 K 8.61 4.69 0.00 1.59 1.63 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.24 7.81 175 N 7.89 4.86 0.00 2.35 2.57 0.00 0.00 6.76 7.01 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 0.00 176 Y 7.92 4.37 0.00 2.95 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 0.00 177 T 7.70 4.50 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 1.18 0.00 0.00 178 D 8.82 4.40 0.00 2.62 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 0.00 179 E 8.13 3.84 0.00 1.90 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 2.27 2.25 0.00 180 A 7.79 3.68 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 0.00 181 I 8.26 2.97 1.87 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 1.27 0.61 0.91 0.00 0.00 182 E 7.95 4.52 0.00 1.97 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 2.17 1.86 0.00 183 T 7.41 4.79 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 1.21 0.00 0.00 184 D 9.13 4.70 0.00 2.75 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 0.00 185 D 7.98 4.37 0.00 2.77 2.58 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 0.00 186 L 8.54 4.52 0.00 1.68 1.66 0.92 0.92 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 0.00 187 T 7.97 3.94 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 1.21 0.00 0.00 188 I 7.68 4.27 1.87 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 1.38 0.54 0.91 0.00 0.00 189 K 7.92 4.28 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.31 7.81 190 L 7.48 4.18 0.00 1.81 1.77 0.82 1.04 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 0.00 191 V 7.91 3.65 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 0.98 0.00 0.00 0.96 0.00 0.00 192 I 7.45 3.79 1.87 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 1.38 0.56 0.91 0.00 0.00 193 K 8.60 4.21 0.00 1.71 1.84 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 194 A 8.74 4.76 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 L 8.70 4.15 0.00 1.61 1.71 0.92 0.75 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 0.00 196 L 8.09 4.44 0.00 1.67 1.72 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.48 4.36 0.00 2.01 1.86 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 2.26 2.19 0.00 198 V 7.82 4.42 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 0.74 0.00 0.00 0.93 0.00 0.00 199 V 8.15 3.85 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 0.83 0.00 0.00 0.93 0.00 0.00 200 Q 8.67 4.09 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 201 S 8.32 4.23 0.00 3.88 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 0.00 202 G 10.28 3.39 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 0.00 203 G 8.36 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 0.00 0.00 0.00 204 K 7.93 4.38 0.00 1.80 1.70 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.28 7.81 205 N 7.97 4.94 0.00 2.60 2.82 0.00 0.00 6.94 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 0.00 206 I 7.44 4.78 1.86 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 1.07 0.81 0.92 0.00 0.00 207 E 7.58 4.90 0.00 1.70 1.70 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 2.15 2.11 0.00 208 L 7.75 4.63 0.00 1.33 1.61 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 209 A 7.50 4.80 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 0.00 210 V 7.97 4.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.94 0.00 0.00 211 M 8.59 5.16 0.00 1.66 1.86 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 212 R 8.27 4.46 0.00 1.32 1.82 0.00 3.25 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 213 R 8.09 4.16 0.00 1.55 1.84 0.00 3.28 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 214 D 8.54 4.37 0.00 2.54 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 0.00 215 Q 8.20 4.27 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 216 S 8.22 4.43 0.00 3.69 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 0.00 217 L 8.35 4.94 0.00 1.63 1.58 0.98 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 218 K 8.78 4.49 0.00 1.43 1.61 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.27 7.81 219 I 8.43 4.12 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 1.35 0.98 0.91 0.00 0.00 220 L 7.80 4.22 0.00 1.50 1.62 0.92 1.01 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 0.00 221 N 8.66 4.73 0.00 2.87 2.93 0.00 0.00 5.88 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 0.00 222 P 0.00 4.39 0.00 2.28 2.37 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 223 E 8.21 4.04 0.00 2.00 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 2.31 1.94 0.00 224 E 8.26 4.42 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.95 0.00 225 I 7.68 4.06 1.87 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 1.38 0.54 0.91 0.00 0.00 226 E 8.39 4.25 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 227 K 8.12 4.35 0.00 1.79 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *228 Y 7.72 4.61 0.00 2.38 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 0.00 0.00 0.00 0.00 229 V 7.98 4.35 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 0.75 0.00 0.00 0.93 0.00 0.00 230 A 7.50 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 E 8.81 4.17 0.00 2.03 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 2.26 2.20 0.00 232 I 7.63 4.74 1.87 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 1.27 0.68 0.91 0.00 0.00 233 E 7.77 4.08 0.00 2.06 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 0.00 2.26 2.13 0.00 234 K 8.41 4.36 0.00 1.67 1.83 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.24 7.81 235 E 8.20 4.20 0.00 1.98 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 0.00 2.23 1.87 0.00 236 K 8.04 4.66 0.00 1.78 1.70 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.24 7.81 237 E 8.27 4.79 0.00 1.85 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 2.13 2.11 0.00 238 E 8.41 4.55 0.00 1.98 1.86 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 2.23 1.87 0.00 239 N 7.86 5.02 0.00 2.69 2.66 0.00 0.00 6.43 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 0.00 240 E 8.19 4.74 0.00 1.93 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 2.11 1.82 0.00 241 K 8.45 4.77 0.00 1.71 1.63 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.22 7.81 242 K 7.73 4.75 0.00 1.70 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 0.99 7.81 243 K 7.89 4.78 0.00 1.73 1.64 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.10 0.81 7.81 244 Q 8.18 4.20 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.62 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.