NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2847 7.8827 121.4547 61.2078 38.7382 173.7547 17 V 4.3702 8.7670 125.9474 61.7395 32.8292 174.4508 18 G 3.7841 8.4957 114.1435 46.6810 0.0000 173.3120 19 G 4.1702 7.7149 109.9024 44.1234 0.0000 172.6094 20 Y 4.9569 7.7447 116.8569 55.1571 42.2550 174.9411 21 T 4.2593 8.6318 117.0146 64.0427 68.4000 175.0099 22 C 4.2896 8.5842 125.5422 61.0425 34.9740 174.8893 23 G 4.1158 8.7499 106.5781 43.9626 0.0000 172.8983 24 A 4.2236 8.7292 125.8174 53.9933 18.5292 176.8098 25 N 4.2504 8.8539 119.2786 54.5446 36.1999 175.2650 26 T 4.2501 7.6149 107.0394 62.4749 69.9904 175.1278 27 V 4.0932 7.0183 121.7882 59.8300 31.4131 173.6234 28 P 4.4850 0.0000 0.0000 64.2161 31.7158 178.1019 29 Y 5.0228 6.7508 114.9893 56.2531 38.7934 174.6319 30 Q 4.5999 7.3720 123.5527 56.3589 29.6163 175.4656 31 V 4.8659 8.9829 118.7046 59.6392 36.2745 174.1700 32 S 4.8039 8.6997 117.2466 56.5474 64.8702 172.7214 33 L 4.4060 8.5670 127.7508 53.5693 42.9854 175.1770 34 N 5.6785 8.8721 122.3748 49.8640 42.2941 174.7921 *37 S 4.2302 8.3837 119.5355 58.3710 64.1297 174.5300 38 G 4.0384 10.0213 108.8942 46.0664 0.0000 172.6692 39 Y 4.5119 6.7154 115.1369 56.2909 39.9709 172.5391 40 H 4.5291 8.8137 121.6386 56.0360 30.3852 174.7520 41 F 4.9867 7.5161 119.8892 56.8613 39.7130 173.9091 42 C 4.7678 6.8167 114.9030 56.2391 44.7669 173.2471 43 G 4.2759 8.6020 109.3677 45.5391 0.0000 172.1907 44 G 4.5558 8.0093 105.7297 46.4294 0.0000 172.6697 45 S 5.4549 8.7721 115.5213 56.4231 66.7757 173.6391 46 L 4.8337 9.1950 127.7364 54.8494 42.3909 177.0829 47 I 4.4098 8.5100 119.8651 60.9316 38.4499 174.4521 48 N 4.5649 7.6282 117.5969 52.1893 39.4311 175.1050 49 S 4.2626 8.5482 112.2755 60.9494 63.0038 174.9546 50 Q 4.5831 8.2072 119.3937 55.0905 31.1252 174.0824 51 W 5.5151 8.3346 116.3529 55.3410 33.4498 174.3258 52 V 4.9769 9.0938 123.2279 61.1505 34.4896 174.1273 53 V 4.8966 8.9335 127.0729 61.7358 33.9694 174.6953 54 S 5.0548 9.0582 120.8993 57.7216 66.0868 171.9804 55 A 4.7935 8.5169 120.3969 50.6102 20.5652 178.4517 56 A 3.8178 8.3070 124.2781 55.2806 18.4880 179.1260 57 H 4.5244 8.3565 109.0870 57.0693 28.6552 175.2971 58 C 4.6540 7.6942 117.2001 57.2946 40.6487 173.4193 59 Y 4.1588 7.7696 122.1418 57.6342 38.8250 175.1531 60 K 3.6535 6.5093 122.9188 56.1106 34.5041 174.5011 61 S 4.2048 8.2047 115.0467 58.1418 64.3842 173.2377 62 G 3.7274 8.2401 106.0381 46.7207 0.0000 173.8025 63 I 4.2756 7.4501 119.5684 59.9138 39.3295 175.3274 64 Q 4.7428 8.8263 128.3539 54.1748 31.5609 174.2315 65 V 4.1317 8.9506 127.2634 62.0841 33.3775 174.6502 66 R 5.1004 8.8266 127.3458 54.7018 32.2780 175.1955 67 L 4.7109 9.1322 124.9883 52.7252 44.6022 177.5587 *69 G 3.9239 8.3233 108.0347 45.4343 0.0000 172.9333 70 E 4.4478 8.2305 118.1953 55.4373 30.2487 174.3382 71 D 4.7718 7.8235 117.4137 55.1244 44.2996 174.1408 72 N 4.9200 8.8366 119.7011 52.7957 39.1927 176.1333 73 I 3.8971 8.4605 119.6715 61.9949 37.8757 176.1702 74 N 4.8146 8.6316 118.0044 53.0873 39.4677 174.7641 75 V 4.3492 7.3317 116.5365 60.6662 34.4872 174.9418 76 V 4.0586 8.4404 126.5544 62.7141 31.2377 175.1603 77 E 4.4156 9.6255 127.3404 55.3079 30.9927 176.6345 78 G 4.0131 9.0158 106.4441 45.7705 0.0000 174.1196 79 N 4.6040 8.7948 116.9903 52.8752 36.8988 174.9530 80 E 4.5460 7.6687 116.8653 56.3517 30.7757 176.3965 81 Q 4.4114 9.0194 120.9517 54.3483 32.6624 174.0482 82 F 5.5793 8.8283 123.1808 56.0742 40.8736 175.4963 83 I 4.7150 8.9484 124.4360 59.4489 41.2880 175.3146 84 S 4.5673 8.7236 122.1497 58.3743 64.2570 173.0485 85 A 4.5808 8.3013 125.5922 51.7848 18.4930 177.7434 86 S 4.4502 8.8443 117.5183 59.7947 64.6532 174.6672 87 K 4.6112 7.5645 119.7475 55.2094 35.5305 174.4001 88 S 5.2145 8.8501 122.2450 56.8777 65.8802 173.6000 89 I 4.4700 9.4390 126.6870 59.4380 38.8950 174.9145 90 V 4.1342 8.2732 127.2539 62.2270 32.6632 175.1890 91 H 4.1194 8.6886 127.5170 55.7720 29.9920 174.4566 92 P 4.3448 0.0000 0.0000 65.3608 31.1593 177.0431 93 S 4.6839 8.0073 113.0028 58.0898 62.9015 173.2353 94 Y 4.2933 8.1185 123.4679 57.6764 39.0699 174.4629 95 N 4.5835 8.0250 125.2359 51.3088 40.2021 175.1864 96 S 3.9907 7.7952 120.2696 59.8449 63.5197 175.1349 97 N 4.3982 8.4282 119.2333 55.1631 38.6127 176.0364 98 T 3.9854 7.6894 105.4831 60.5943 70.0981 174.9284 99 L 3.7225 7.9584 120.8527 55.4075 39.9689 173.9115 100 N 4.4829 7.6378 117.7272 54.6161 39.4357 174.5950 101 N 4.9957 8.6827 119.7739 54.4353 35.7128 175.3773 102 D 4.7450 8.0110 118.0311 52.9764 39.9119 174.4161 103 I 4.7703 7.2259 121.0916 59.3869 42.1853 172.5852 104 M 5.3931 9.2123 126.8286 54.1626 36.2716 173.2392 105 L 5.4365 9.2833 124.6064 53.1350 44.9849 175.3735 106 I 4.9803 9.1070 123.9638 59.4163 40.4018 174.2766 107 K 3.6900 8.5933 128.9907 54.5142 33.5655 175.6049 108 L 4.3456 8.1305 127.9533 54.1163 41.9617 177.0577 109 K 4.1323 8.7476 124.8502 59.0234 32.5693 177.1947 110 S 4.6418 7.7173 111.1037 55.7490 66.1269 173.2201 111 A 4.3670 8.4092 123.4501 52.0874 18.7091 177.4158 112 A 4.2048 9.0386 123.7559 51.8216 19.7393 177.3421 113 S 4.5051 9.0978 115.6577 56.9599 62.8276 174.0347 114 L 4.5636 8.5036 128.1893 54.5551 42.9320 176.5284 115 N 4.8168 8.7491 118.9992 52.5132 39.5401 174.8627 116 S 4.2937 8.7373 111.4278 61.1812 63.2318 174.9819 117 R 4.2477 8.8159 119.7353 56.4171 30.7410 175.8683 118 V 4.3896 7.8044 116.1553 60.9745 33.4058 173.6265 119 A 5.2030 8.5168 128.3947 50.2549 23.0156 174.9709 120 S 5.1157 8.7005 113.7618 57.6397 65.0142 173.1202 121 I 4.4647 8.2714 121.1666 59.1817 39.7182 175.4339 122 S 4.4550 8.3874 123.8155 58.2788 64.1735 173.6355 123 L 4.3889 8.3324 123.0844 53.1928 42.5443 175.3426 124 P 4.4795 0.0000 0.0000 63.1212 32.0177 176.2133 125 T 4.2454 8.2450 108.5676 62.1255 70.2634 174.4420 *127 S 4.5731 7.5828 114.8828 58.0496 64.0328 174.1703 128 C 4.4190 8.4196 118.3262 56.7380 40.7103 173.5510 129 A 4.3722 8.0548 124.9071 51.5604 19.6088 177.2585 130 S 4.4444 8.0623 113.9032 56.5749 65.3188 173.1997 *132 A 4.2158 8.1702 123.1428 53.4326 19.1800 177.3638 133 G 3.9630 9.2569 110.6005 45.3186 0.0000 174.2687 134 T 4.0155 7.4873 117.3983 63.6689 69.4479 173.7496 135 Q 4.6407 8.5886 125.3938 55.8049 29.8081 175.8924 136 C 5.2456 9.2026 119.9301 55.1333 46.6104 172.3722 137 L 5.1737 9.0173 122.7800 53.5400 43.9789 175.0689 138 I 5.1833 9.1809 127.1997 58.7854 40.1488 174.8062 139 S 4.8803 8.5542 119.2470 56.4971 66.5374 173.0603 140 G 3.7303 7.3422 108.3539 46.2331 0.0000 172.9443 141 W 4.6173 8.5532 116.8941 56.2433 29.3516 176.9795 142 G 4.1516 8.5112 109.2893 44.4926 0.0000 173.4869 143 N 4.0455 9.0018 118.5360 54.3339 39.0050 174.5487 144 T 5.2653 8.0038 112.3124 60.5257 69.5768 174.2884 145 K 4.6617 8.9614 122.1175 54.9968 35.1437 176.3563 146 S 4.3192 8.7118 118.1331 60.5016 63.9272 175.2693 147 S 4.6712 8.7287 113.3902 55.0758 61.4479 172.1669 148 G 3.8985 6.5317 107.8372 45.9684 0.0000 169.6512 149 T 4.4881 7.8369 115.9970 61.8377 71.9843 174.6211 150 S 4.3372 8.3024 122.0245 57.5438 65.6794 172.5215 151 Y 4.9680 8.5029 123.4489 55.8466 38.8637 174.3523 152 P 4.6406 0.0000 0.0000 62.7043 32.7637 175.8980 153 D 4.6055 8.7669 118.5178 56.3299 41.5060 177.2790 154 V 5.5435 7.4021 109.8846 58.6671 34.3069 175.7978 155 L 3.2036 8.3120 124.0404 55.0168 42.9314 175.9514 156 K 4.8235 8.1361 125.1451 54.9521 34.9653 174.6567 157 C 5.2474 8.6717 119.6478 55.1853 41.6729 173.0098 158 L 4.8592 8.4896 122.5214 53.9078 45.5537 174.4050 159 K 5.1372 8.9861 125.7285 55.3370 33.4611 175.9001 160 A 4.8696 9.1166 126.4262 49.7806 23.1246 173.4735 161 P 4.9692 0.0000 0.0000 62.0520 33.7834 175.1080 162 I 4.4877 8.2086 122.6168 61.2322 38.1455 175.8749 163 L 4.7943 8.6775 127.4367 53.4135 43.2043 177.0295 164 S 4.3517 8.4503 114.8885 58.1999 63.8749 175.2188 165 D 4.4511 8.6533 121.6626 57.3553 40.5476 179.0809 166 S 4.0871 8.0092 113.4562 61.6750 62.5268 176.3282 167 S 4.1887 7.9044 117.8518 61.3421 62.4932 175.8900 168 C 4.3174 8.1977 121.3565 59.8657 42.8460 175.9633 169 K 3.9858 8.3487 119.9118 59.3471 31.3322 179.6483 170 S 4.2147 7.8205 114.8262 61.3303 62.7871 176.1180 171 A 4.0185 7.9014 122.9173 53.8408 19.7921 177.3914 172 Y 4.8130 7.8873 114.0365 54.9239 38.3466 172.8975 173 P 4.5211 0.0000 0.0000 63.6153 31.9505 177.5865 174 G 3.9771 9.0716 109.3326 46.1364 0.0000 173.6306 175 Q 4.5300 8.1888 115.9991 55.1482 30.4541 175.3775 176 I 4.3918 7.8742 119.7827 59.9736 38.0996 175.5517 177 T 4.5132 8.2321 116.1019 59.7841 70.6548 175.4708 178 S 4.3450 8.5271 115.1037 60.3342 63.1802 174.3855 179 N 4.9763 8.0930 118.8893 53.3512 38.4923 173.8381 180 M 5.6169 7.8405 116.8887 53.9836 36.4489 174.4603 181 F 5.0942 8.6048 114.1870 56.0838 41.9317 172.5702 182 C 5.4583 9.0553 116.8967 55.9647 41.1479 172.5364 183 A 4.9981 9.1230 122.0175 51.2586 22.5092 175.9882 184A G 3.9860 7.0186 107.0558 44.6569 0.0000 172.3632 184 Y 4.6248 8.5054 118.9106 55.9710 41.0056 176.5505 185 L 4.1235 8.6504 125.2695 57.3823 41.9848 178.4321 186 E 4.0915 8.2883 114.4843 56.2473 29.9682 177.4650 187 G 3.8674 8.0917 108.7198 45.3501 0.0000 173.2536 188A G 4.0300 9.6221 106.4665 44.6815 0.0000 173.5360 188 K 5.5240 7.1993 117.3190 54.0632 35.6790 175.1666 189 D 4.6410 8.3917 122.7733 53.8359 44.7431 174.7341 190 S 4.9067 8.8071 116.9241 58.1602 65.2079 173.0177 191 C 4.7658 9.4202 118.5990 55.5813 43.8639 172.2992 192 Q 4.3519 8.7038 118.2918 58.1381 28.5472 177.7632 193 G 4.4059 9.2843 110.5063 45.7055 0.0000 174.1004 194 D 4.6613 8.4226 118.7073 55.6705 41.6287 176.7316 195 S 4.4955 8.0949 115.1990 60.5253 63.4964 175.5442 196 G 4.0952 8.9651 112.7275 46.3939 0.0000 173.7336 197 G 4.3917 7.9303 107.4382 45.0972 0.0000 171.3611 198 P 5.0417 0.0000 0.0000 62.4998 33.4240 175.7755 199 V 4.6005 8.5099 120.7868 61.4281 34.1701 173.8767 200 V 4.8485 8.7065 128.7975 61.2506 33.9194 173.7061 201 C 5.1198 8.8697 124.9610 55.5049 43.6472 174.6189 202 S 3.6530 9.6890 120.8300 59.7492 60.0121 173.2707 203 G 3.9222 8.3870 104.1123 45.7295 0.0000 173.7040 204 K 4.6772 7.5719 118.1425 53.0869 34.9682 175.4512 *209 L 4.2145 8.2751 123.1607 55.4306 42.0881 175.7655 210 Q 4.5225 8.8119 125.8674 56.5933 30.9545 175.8208 211 G 5.3015 8.0016 104.5973 45.8074 0.0000 171.4570 212 I 5.2455 8.2079 119.7339 58.8461 41.0899 175.3422 213 V 3.8470 8.9124 127.3876 64.0102 31.8085 174.1343 214 S 4.8345 8.5242 120.6664 58.6699 64.4928 174.2010 215 W 4.9898 7.2588 113.9107 56.0813 31.8449 172.4352 216 G 3.8588 8.3701 106.9640 46.6099 0.0000 173.0297 217 S 4.6495 8.1982 115.5714 56.7532 62.3012 172.6665 *219 G 4.2597 7.9999 118.5512 45.6470 0.0000 170.9002 220 C 4.9235 8.1454 115.9704 56.5186 44.5394 173.8249 221A A 4.1088 9.1037 125.4710 53.1674 16.6527 176.9021 221 Q 4.5071 7.3589 117.3603 56.1532 29.7430 175.9240 222 K 4.1437 8.4797 122.2555 58.1095 32.6514 176.0711 223 N 4.2849 9.2963 121.4189 54.0592 36.8060 175.3823 224 K 4.2865 7.5981 117.6106 53.6550 32.4986 174.0485 225 P 4.6278 0.0000 0.0000 61.9855 33.1595 177.0047 226 G 3.6245 8.4473 106.2557 46.1049 0.0000 172.7384 227 V 4.3759 7.6807 121.7900 60.6914 34.1797 174.1322 228 Y 4.8590 8.1859 124.0199 55.9618 42.3493 174.9109 229 T 4.4280 8.5627 119.6984 63.6044 70.0560 174.2791 230 K 5.0180 9.3639 128.4470 55.4409 31.5621 177.1628 231 V 3.9499 8.8075 126.9332 65.9433 31.3665 174.9601 232 C 4.3356 8.3457 112.5687 58.1825 41.4794 174.7714 233 N 4.2671 7.9984 117.0009 54.3911 38.6025 175.5072 234 Y 4.7666 7.9849 117.7164 57.3158 38.8942 177.2112 235 V 3.6871 7.9480 121.3248 66.3536 31.5115 177.9773 236 S 4.1738 8.1118 113.3171 61.0854 62.8799 176.0594 237 W 4.1103 8.2981 131.5234 60.2269 30.5240 177.8078 238 I 3.2503 8.4584 120.1673 64.2413 36.5935 178.5770 239 K 3.7574 7.9808 119.0918 59.6231 31.6757 179.5441 240 Q 3.9022 7.8752 117.1086 59.0651 28.4035 178.7288 241 T 3.7027 7.5154 116.9181 66.5150 68.2485 177.0004 242 I 2.5957 7.2607 121.5969 63.8088 36.6913 178.3971 243 A 3.9635 7.7350 121.0834 54.1258 18.2131 178.7372 244 S 4.6039 7.2743 109.7781 58.3309 63.5561 174.1152 245 N 4.6793 7.8131 125.7284 53.8283 39.1684 174.0268 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 4.28 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.85 0.00 0.00 17 V 8.77 4.37 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 0.99 0.00 0.00 0.98 0.00 0.00 18 G 8.50 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.71 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 0.00 0.00 0.00 0.00 20 Y 7.74 4.96 0.00 3.01 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 21 T 8.63 4.26 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 1.23 0.00 0.00 22 C 8.58 4.29 0.00 2.78 3.08 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 23 G 8.75 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 24 A 8.73 4.22 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 25 N 8.85 4.25 0.00 2.88 2.91 0.00 0.00 7.12 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 7.61 4.25 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 1.23 0.00 0.00 27 V 7.02 4.09 1.75 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 0.35 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.49 0.00 2.37 2.31 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 29 Y 6.75 5.02 0.00 3.27 3.43 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 30 Q 7.37 4.60 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 1.92 2.55 0.00 31 V 8.98 4.87 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 0.85 0.00 0.00 0.97 0.00 0.00 32 S 8.70 4.80 0.00 3.01 3.27 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 33 L 8.57 4.41 0.00 0.38 0.82 0.78 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.87 5.68 0.00 2.36 2.40 0.00 0.00 6.78 8.22 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 *37 S 8.38 4.23 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 10.02 4.04 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 0.00 39 Y 6.72 4.51 0.00 3.05 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 40 H 8.81 4.53 0.00 2.83 3.13 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.52 4.99 0.00 2.96 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 42 C 6.82 4.77 0.00 2.35 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 43 G 8.60 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.01 4.56 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 0.00 0.00 0.00 45 S 8.77 5.45 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.19 4.83 0.00 1.87 1.68 1.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.51 4.41 1.91 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 1.63 0.91 0.96 0.00 0.00 48 N 7.63 4.56 0.00 2.94 2.99 0.00 0.00 5.99 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.55 4.26 0.00 4.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.21 4.58 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 1.94 2.20 0.00 51 W 8.33 5.52 0.00 3.31 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 52 V 9.09 4.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.97 0.00 0.00 53 V 8.93 4.90 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 1.04 0.00 0.00 1.03 0.00 0.00 54 S 9.06 5.05 0.00 3.89 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 55 A 8.52 4.79 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 56 A 8.31 3.82 0.36 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 57 H 8.36 4.52 0.00 3.38 3.56 0.00 5.55 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.69 4.65 0.00 3.24 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 59 Y 7.77 4.16 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 60 K 6.51 3.65 0.00 1.48 1.33 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.75 0.87 7.81 61 S 8.20 4.20 0.00 3.93 3.85 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 62 G 8.24 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.45 4.28 1.83 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 0.64 0.89 0.00 0.00 64 Q 8.83 4.74 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 65 V 8.95 4.13 2.15 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 0.89 0.00 0.00 0.87 0.00 0.00 66 R 8.83 5.10 0.00 1.60 1.71 0.00 2.63 0.00 0.00 2.52 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.12 0.00 67 L 9.13 4.71 0.00 1.61 1.64 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.32 3.92 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 0.00 0.00 0.00 70 E 8.23 4.45 0.00 2.06 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 2.35 2.06 0.00 71 D 7.82 4.77 0.00 2.77 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 72 N 8.84 4.92 0.00 2.85 2.82 0.00 0.00 7.17 7.81 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 73 I 8.46 3.90 1.43 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 -0.45 0.00 0.00 74 N 8.63 4.81 0.00 2.82 2.87 0.00 0.00 6.61 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 75 V 7.33 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 0.77 0.00 0.00 0.95 0.00 0.00 76 V 8.44 4.06 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 0.94 0.00 0.00 77 E 9.63 4.42 0.00 1.94 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 2.27 2.43 0.00 78 G 9.02 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 79 N 8.79 4.60 0.00 2.90 3.11 0.00 0.00 7.00 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 7.67 4.55 0.00 1.55 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 2.56 2.59 0.00 81 Q 9.02 4.41 0.00 2.00 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 2.30 0.00 82 F 8.83 5.58 0.00 2.82 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 83 I 8.95 4.71 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 0.85 0.93 0.00 0.00 84 S 8.72 4.57 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 4.58 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 86 S 8.84 4.45 0.00 3.78 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 87 K 7.56 4.61 0.00 1.79 1.54 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.51 7.81 88 S 8.85 5.21 0.00 4.08 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 89 I 9.44 4.47 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.05 1.07 0.00 0.00 90 V 8.27 4.13 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 0.61 0.00 0.00 0.73 0.00 0.00 91 H 8.69 4.12 0.00 2.93 2.98 0.00 5.65 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 4.34 0.00 2.24 2.24 0.00 3.39 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 1.80 2.08 0.00 93 S 8.01 4.68 0.00 3.92 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 94 Y 8.12 4.29 0.00 3.10 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 95 N 8.03 4.58 0.00 2.58 2.41 0.00 0.00 6.66 6.92 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 96 S 7.80 3.99 0.00 3.96 3.85 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 97 N 8.43 4.40 0.00 2.72 2.78 0.00 0.00 6.87 7.10 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 98 T 7.69 3.99 4.10 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 1.09 0.00 0.00 99 L 7.96 3.72 0.00 1.36 1.81 0.64 0.97 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 0.00 100 N 7.64 4.48 0.00 2.73 2.63 0.00 0.00 7.26 7.89 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 0.00 101 N 8.68 5.00 0.00 2.94 2.69 0.00 0.00 7.23 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 8.01 4.74 0.00 3.07 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 0.00 103 I 7.23 4.77 1.47 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.09 0.14 0.00 0.00 104 M 9.21 5.39 0.00 2.12 1.82 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 2.65 0.00 105 L 9.28 5.44 0.00 1.83 1.93 0.35 0.94 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 0.00 106 I 9.11 4.98 1.90 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 1.18 0.94 0.92 0.00 0.00 107 K 8.59 3.69 0.00 0.79 1.07 0.00 1.35 0.00 0.00 1.36 0.00 0.00 2.67 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.75 0.21 7.81 108 L 8.13 4.35 0.00 1.46 1.56 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.75 4.13 0.00 1.80 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.36 7.81 110 S 7.72 4.64 0.00 3.93 3.73 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 0.00 0.00 0.00 111 A 8.41 4.37 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 0.00 112 A 9.04 4.20 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 0.00 113 S 9.10 4.51 0.00 3.86 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 0.00 114 L 8.50 4.56 0.00 1.70 1.61 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.75 4.82 0.00 2.89 2.92 0.00 0.00 6.57 7.80 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 0.00 116 S 8.74 4.29 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 0.00 117 R 8.82 4.25 0.00 2.03 2.01 0.00 3.33 0.00 0.00 3.10 7.36 0.00 0.00 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0.00 1.20 0.00 0.00 *127 S 7.58 4.57 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.42 4.42 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 8.05 4.37 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 8.06 4.44 0.00 3.97 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 *132 A 8.17 4.22 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 0.00 133 G 9.26 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 0.00 134 T 7.49 4.02 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 1.14 0.00 0.00 135 Q 8.59 4.64 0.00 1.93 2.04 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 2.34 0.00 136 C 9.20 5.25 0.00 2.85 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 9.02 5.17 0.00 1.75 1.57 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.18 5.18 1.88 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 0.77 1.32 0.97 0.00 0.00 139 S 8.55 4.88 0.00 3.54 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 0.00 140 G 7.34 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.55 4.62 0.00 3.10 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 0.00 142 G 8.51 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 N 9.00 4.05 0.00 2.48 2.69 0.00 0.00 7.09 7.59 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 0.00 144 T 8.00 5.27 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 1.30 0.00 0.00 145 K 8.96 4.66 0.00 1.77 1.68 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.46 7.81 146 S 8.71 4.32 0.00 3.86 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 0.00 147 S 8.73 4.67 0.00 3.79 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 6.53 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 7.84 4.49 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 1.10 0.00 0.00 150 S 8.30 4.34 0.00 3.81 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 0.00 151 Y 8.50 4.97 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.64 0.00 2.46 2.11 0.00 4.19 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 153 D 8.77 4.61 0.00 2.80 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 0.00 154 V 7.40 5.54 2.15 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 1.04 0.00 0.00 0.97 0.00 0.00 155 L 8.31 3.20 0.00 1.50 1.29 -0.74 0.11 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 8.14 4.82 0.00 1.68 1.50 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.48 7.81 157 C 8.67 5.25 0.00 1.47 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 0.00 0.00 0.00 0.00 158 L 8.49 4.86 0.00 1.67 1.44 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.99 5.14 0.00 1.83 1.83 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.69 7.81 160 A 9.12 4.87 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 0.00 161 P 0.00 4.97 0.00 2.01 2.07 0.00 3.04 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 162 I 8.21 4.49 1.73 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.84 0.76 0.00 0.00 163 L 8.68 4.79 0.00 1.57 1.61 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.45 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 8.65 4.45 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.01 4.09 0.00 3.90 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 0.00 167 S 7.90 4.19 0.00 3.87 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 0.00 168 C 8.20 4.32 0.00 3.22 3.33 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 0.00 169 K 8.35 3.99 0.00 1.89 1.90 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.69 7.81 170 S 7.82 4.21 0.00 4.02 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 7.90 4.02 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 7.89 4.81 0.00 3.10 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.52 0.00 2.21 2.12 0.00 3.59 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 174 G 9.07 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 8.19 4.53 0.00 2.46 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.59 0.00 176 I 7.87 4.39 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 0.95 1.00 0.00 0.00 177 T 8.23 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 1.24 0.00 0.00 178 S 8.53 4.35 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 8.09 4.98 0.00 3.00 3.09 0.00 0.00 6.61 8.74 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 0.00 180 M 7.84 5.62 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 2.21 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 8.60 5.09 0.00 3.10 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 0.00 182 C 9.06 5.46 0.00 3.00 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 0.00 183 A 9.12 5.00 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 184A G 7.02 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 0.00 184 Y 8.51 4.62 0.00 3.07 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.65 4.12 0.00 1.73 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.29 4.09 0.00 2.11 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 2.29 0.00 187 G 8.09 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 0.00 0.00 0.00 188A G 9.62 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 0.00 0.00 0.00 188 K 7.20 5.52 0.00 1.27 1.56 0.00 1.71 0.00 0.00 2.03 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.96 7.81 189 D 8.39 4.64 0.00 2.82 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 8.81 4.91 0.00 4.02 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 0.00 191 C 9.42 4.77 0.00 2.93 3.13 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 0.00 192 Q 8.70 4.35 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.11 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 193 G 9.28 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.42 4.66 0.00 3.00 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 8.09 4.50 0.00 3.98 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 0.00 196 G 8.97 4.10 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 0.00 197 G 7.93 4.39 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 0.00 198 P 0.00 5.04 0.00 2.32 2.37 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 199 V 8.51 4.60 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 0.84 0.00 0.00 0.57 0.00 0.00 200 V 8.71 4.85 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 0.76 0.00 0.00 0.63 0.00 0.00 201 C 8.87 5.12 0.00 2.78 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 9.69 3.65 0.00 3.95 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 0.00 203 G 8.39 3.92 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 0.00 0.00 0.00 204 K 7.57 4.68 0.00 1.84 1.65 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *209 L 8.28 4.21 0.00 1.50 1.64 1.02 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 8.81 4.52 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.39 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 211 G 8.00 5.30 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 0.00 0.00 0.00 212 I 8.21 5.25 1.93 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 1.30 0.99 0.94 0.00 0.00 213 V 8.91 3.85 2.38 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 0.97 0.00 0.00 1.17 0.00 0.00 214 S 8.52 4.83 0.00 3.91 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 0.00 215 W 7.26 4.99 0.00 3.41 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 0.00 216 G 8.37 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 0.00 217 S 8.20 4.65 0.00 4.20 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 8.00 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 0.00 0.00 0.00 220 C 8.15 4.92 0.00 2.95 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 221A A 9.10 4.11 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 0.00 221 Q 7.36 4.51 0.00 2.05 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 2.52 2.46 0.00 222 K 8.48 4.14 0.00 1.72 1.72 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.62 7.81 223 N 9.30 4.28 0.00 2.81 2.81 0.00 0.00 6.77 7.53 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 0.00 224 K 7.60 4.29 0.00 1.80 1.76 0.00 1.51 0.00 0.00 1.33 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 225 P 0.00 4.63 0.00 2.15 2.11 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 226 G 8.45 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 0.00 0.00 0.00 227 V 7.68 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 0.40 0.00 0.00 -0.81 0.00 0.00 228 Y 8.19 4.86 0.00 1.43 2.41 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 0.00 0.00 0.00 0.00 229 T 8.56 4.43 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 1.20 0.00 0.00 230 K 9.36 5.02 0.00 2.14 1.93 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.64 7.81 231 V 8.81 3.95 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 1.22 0.00 0.00 1.10 0.00 0.00 232 C 8.35 4.34 0.00 3.17 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 0.00 233 N 8.00 4.27 0.00 2.34 2.44 0.00 0.00 6.82 7.31 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 0.00 234 Y 7.98 4.77 0.00 3.21 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 7.95 3.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.08 0.00 0.00 236 S 8.11 4.17 0.00 4.12 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 0.00 237 W 8.30 4.11 0.00 3.54 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 8.46 3.25 2.04 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 1.70 1.00 0.78 0.00 0.00 239 K 7.98 3.76 0.00 1.74 1.76 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.64 7.81 240 Q 7.88 3.90 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 241 T 7.52 3.70 3.46 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 0.78 0.00 0.00 242 I 7.26 2.60 1.37 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 0.23 0.00 0.00 243 A 7.74 3.96 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 0.00 244 S 7.27 4.60 0.00 4.02 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 0.00 245 N 7.81 4.68 0.00 2.99 3.04 0.00 0.00 6.75 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.