NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 N 4.6507 8.4244 119.2215 53.8875 40.1397 172.7542 45 T 4.3785 8.1152 111.4623 60.7137 68.7681 173.1294 46 Y 4.4797 8.3867 123.4286 55.9341 42.2862 174.4654 47 Q 3.8039 8.5424 126.4688 56.7039 30.1998 175.0761 48 E 4.8694 8.3735 125.4546 54.2747 31.6769 175.9381 49 F 4.2614 8.6365 124.5179 57.7390 39.5000 175.5559 50 T 4.3327 8.5219 114.3573 62.2505 69.7066 174.6759 51 N 4.8788 7.7136 119.9031 51.1674 43.0669 173.9526 52 I 3.6169 8.4862 127.5887 64.7144 38.0739 177.9399 53 D 4.3738 8.0203 118.9749 57.1805 40.7907 178.4108 54 Q 3.9228 7.9571 119.0402 59.1775 29.1351 178.1841 55 A 3.0017 7.8018 121.7576 54.5732 18.2389 179.8675 56 K 3.9182 8.0608 117.0161 59.4885 32.1690 179.4595 57 A 3.9590 8.1335 121.2466 54.8004 18.2961 179.5392 58 W 4.0455 8.0502 126.5912 60.5673 30.7605 178.1894 59 G 2.3616 7.9530 105.6497 47.3943 0.0000 175.0056 60 N 4.1777 8.1234 119.5591 55.9594 38.4316 177.4064 61 A 3.9055 7.4057 120.9130 55.0390 18.3694 179.4131 62 Q 3.6929 7.5512 116.6094 58.9097 28.6670 178.1619 63 Y 2.5756 7.5792 120.4970 60.2256 38.5473 178.4902 64 K 3.7894 7.2799 117.3537 59.0611 32.2595 177.7428 65 K 4.3350 7.1635 114.7968 57.2293 32.6421 177.4622 66 Y 4.2643 7.7612 119.0242 60.8419 38.4828 176.4056 67 G 3.7752 7.7613 104.3754 46.3679 0.0000 174.0105 68 L 4.1961 7.5392 117.4315 53.8211 42.7446 178.0963 69 S 4.2776 8.4709 118.3800 58.2904 63.6492 175.3882 70 K 4.0127 8.5181 120.2707 59.4110 31.8390 178.6868 71 S 4.0707 8.0204 115.0325 61.7157 62.7751 175.9671 72 E 3.9111 7.6849 120.7395 59.6998 29.1158 179.9423 73 K 3.9664 7.7663 117.8826 59.7423 32.1477 179.3326 74 E 3.9965 8.1908 118.3859 59.1864 29.3486 179.1295 75 A 4.0334 8.1849 120.9685 55.4714 18.3857 179.7939 76 I 3.7154 7.6024 118.0389 64.3571 36.9711 178.9408 77 V 3.9594 7.8387 120.9099 65.5861 31.5955 178.3377 78 S 4.2229 8.5493 114.1211 61.1492 62.5828 175.8465 79 Y 4.0445 7.8339 123.3403 60.7691 38.8567 177.4875 80 T 3.9340 8.4070 112.8109 64.5418 68.6231 177.5172 81 K 3.7512 7.4283 126.5427 58.7966 32.8341 183.4142 82 S 4.8590 7.6834 114.9656 57.1111 63.9074 176.1355 83 A 3.4023 7.7334 124.6426 55.1396 18.4178 179.5517 84 S 4.1996 8.0240 114.7868 62.6152 63.1753 176.3198 85 E 4.1078 8.1809 122.0288 59.8252 29.6229 180.9820 86 I 3.9380 8.2502 118.8348 64.4473 38.0903 178.1810 87 N 4.5684 8.6140 117.2697 56.3375 38.6120 177.4045 88 G 3.8069 7.9561 106.7311 47.8320 0.0000 175.5919 89 K 3.9302 8.1659 121.4847 59.5480 32.3975 178.9228 90 L 3.9682 7.9681 119.2230 57.9340 41.3737 179.8658 91 R 3.9164 8.2795 118.1009 59.2830 30.0122 178.6226 92 Q 3.9734 7.7670 118.2355 58.4405 29.2154 177.1509 93 N 4.7185 7.7116 118.2030 52.5801 38.9712 175.3654 94 K 2.6699 8.7023 118.1656 55.0807 29.5150 178.9338 95 G 3.9179 8.0182 104.6940 47.0209 0.0000 174.2874 96 V 4.3562 7.4582 118.3413 60.6018 33.7418 175.3131 97 I 4.2828 8.1188 118.5813 60.8538 38.3556 176.5502 98 N 4.1737 7.9117 118.3334 57.1577 38.6424 175.8587 99 G 3.7291 7.9854 107.8924 47.3693 0.0000 174.0078 *100 F 4.3427 7.7528 118.3990 55.0683 39.0730 178.8343 101 P 4.4019 0.0000 0.0000 63.3634 32.7715 177.8857 102 S 4.2908 8.6010 115.8106 61.1798 63.0207 176.8566 103 N 4.3708 8.0626 119.7696 56.0109 37.1155 177.0617 104 L 4.0583 7.8670 121.1646 57.4317 42.4009 178.6010 105 I 3.8923 7.6627 119.6498 64.2238 37.2021 178.2352 106 K 4.3355 7.7269 120.8431 58.9435 31.9210 178.4678 107 Q 3.9867 7.9658 118.2693 59.4741 28.7400 180.0026 108 V 3.7521 7.7539 118.3721 66.1434 31.4494 177.9653 109 E 4.0744 8.1731 117.9622 59.3087 29.3937 179.0771 110 L 4.0961 7.9582 118.8420 57.3497 41.8424 179.3879 111 L 3.8617 8.1917 119.2725 58.0788 41.4009 179.4103 112 D 4.7990 8.1093 117.3088 57.2291 41.0243 178.4731 113 K 4.1497 8.1797 120.3292 59.3176 32.0660 178.9817 114 S 4.1274 7.9555 115.6872 61.7546 62.7484 176.6359 115 F 3.9781 7.6736 119.1921 60.5411 38.3361 177.2224 116 N 4.3652 7.8932 115.0079 55.8753 38.3719 176.4150 117 K 4.4879 7.9931 117.7947 55.9652 33.9669 176.7823 118 M 3.9913 7.5820 120.0216 52.6134 31.5230 174.2766 119 K 5.1488 7.9814 120.7168 54.2933 35.7084 175.8481 120 T 4.4069 8.6800 117.4599 60.9861 67.8264 173.7433 121 P 4.6577 0.0000 0.0000 63.9396 32.0283 175.4002 122 E 4.7745 7.8749 115.1146 54.3510 33.0475 174.5433 123 N 4.7313 8.5964 117.2597 54.0326 39.4432 174.2099 124 I 5.1429 9.2857 116.2319 59.7866 41.7503 173.5767 125 M 5.6663 8.5137 122.5599 53.1615 33.9578 175.5830 126 L 5.1860 8.1014 120.7131 53.0700 46.6725 175.2538 127 F 5.2446 9.4563 119.3572 55.9703 42.9024 174.6062 128 R 4.8323 8.7551 119.2567 54.5168 34.7358 174.2103 129 G 4.5126 8.3818 108.4635 43.9125 0.0000 172.0817 130 D 4.9860 8.9033 122.1656 52.6913 46.0630 174.4138 131 D 5.0754 8.4773 119.6339 52.4116 43.3595 175.8036 132 P 4.2598 0.0000 0.0000 66.2224 31.3182 178.5026 133 A 4.2630 8.1120 117.9331 54.2091 18.1227 178.3589 134 Y 4.2503 8.1330 118.0968 60.5834 38.8215 177.5381 135 L 4.3566 8.2227 117.3621 53.4601 42.5340 175.6466 136 G 4.3804 7.4656 105.2705 43.2537 0.0000 175.2966 137 T 3.9792 8.6662 110.1290 64.2240 68.7899 175.9836 138 E 4.0309 8.1641 118.3345 57.6616 29.9801 177.0205 139 F 5.0557 8.1833 117.2043 56.9025 40.5416 177.3483 140 Q 4.0807 7.9556 122.0739 58.8484 28.7357 177.1533 141 N 5.0831 8.2066 111.0012 53.0227 39.7159 174.7853 142 T 4.5163 7.6717 109.4643 61.6598 70.5945 176.2341 143 L 4.1940 8.1151 124.3112 56.8539 42.5260 175.9543 144 L 4.9923 7.6364 118.1762 52.5350 43.2443 176.1988 145 N 4.6050 8.5569 121.7569 53.5263 39.1586 174.5985 146 S 4.5827 8.4674 111.8386 58.7183 62.6233 173.4526 147 N 4.7621 8.0150 117.4616 54.5211 37.6135 175.5579 148 G 4.0650 8.1217 102.7441 47.6388 0.0000 173.0349 149 T 4.6485 7.2267 112.6781 60.1775 69.7550 173.8800 150 I 4.4755 8.1714 128.3941 60.6162 37.8185 175.5546 151 N 4.2201 8.6623 126.2614 54.6766 39.4172 175.9751 152 K 4.2371 8.9863 125.2852 59.6945 32.5107 179.4671 153 T 3.8897 8.1482 115.4025 66.6136 68.4201 176.1969 154 A 4.1615 8.2661 122.1342 55.3364 18.4747 179.4333 155 F 4.3904 8.3997 119.2022 61.6747 39.4455 177.1315 156 E 3.7114 8.2806 117.8552 58.7530 29.2563 179.3277 157 K 4.0756 8.0993 118.3100 58.9818 32.2417 179.1991 158 A 4.0279 8.2275 121.2639 55.0271 18.3431 179.7633 159 K 3.8085 7.9767 116.7515 59.6050 31.9200 179.2511 160 A 3.9505 7.5528 119.4490 55.2923 18.3335 179.3440 161 K 3.8575 7.8955 116.7936 58.6875 32.4371 177.5780 162 F 4.8203 7.9607 116.1168 57.9636 41.4772 175.4538 163 L 4.0522 8.2344 121.9211 56.8050 42.0531 175.7860 164 N 4.2639 8.5271 122.2715 54.5243 38.1207 173.3120 165 K 4.7264 7.9211 114.0781 54.1667 35.9098 174.8229 166 D 5.1994 8.4667 120.6287 53.2896 42.8725 176.3170 167 R 4.4652 8.3871 120.7379 54.4320 33.8304 173.2998 168 L 4.6321 8.2458 127.2056 53.0088 43.9944 174.6802 169 E 4.4504 8.5849 127.0650 54.7476 31.3515 175.9830 170 Y 4.2746 8.7196 125.0647 60.5120 39.3154 176.1555 171 G 4.0060 8.5606 106.7801 45.2963 0.0000 172.8072 172 Y 4.6058 8.4433 117.0888 57.8999 39.0175 176.0454 173 I 4.4399 8.2368 123.0229 59.7831 39.5534 174.5590 174 S 5.0882 8.7251 122.6509 57.2710 63.7613 172.9604 175 T 4.8559 8.7645 115.7121 60.4203 72.9354 172.3908 176 S 5.4990 9.0740 117.1912 56.7320 66.1619 175.5388 177 L 4.5746 8.7520 121.1365 57.0709 41.8405 176.8692 178 M 4.4874 7.8193 116.6533 53.3638 36.1215 175.3131 179 N 4.4237 7.4077 119.2247 53.1019 37.2157 172.8669 180 V 4.3343 7.7864 115.5726 59.5213 33.6392 178.0808 181 S 3.9834 8.3519 120.6465 61.8222 63.0509 176.6025 182 Q 3.9172 7.8047 117.6685 57.9454 28.3152 176.8091 183 F 4.9871 8.5203 113.8501 56.7603 41.6126 175.8310 184 A 4.3850 7.7481 122.2963 53.3297 19.0379 177.9258 185 G 4.1282 7.8589 104.5645 46.0186 0.0000 173.5624 186 R 4.7774 7.6166 116.5520 53.1416 33.8343 174.5645 187 P 4.4496 0.0000 0.0000 64.8198 32.7775 176.4714 188 I 4.8383 7.8669 120.6376 59.3965 39.7621 175.0284 189 I 4.8698 8.5161 127.3623 59.7596 40.3189 174.4861 190 T 4.7133 8.6052 123.6685 61.5267 71.2048 173.4240 191 K 4.2071 8.4135 125.9505 54.6180 34.4165 175.1726 192 F 4.8153 8.6253 125.2931 55.8420 41.0032 175.5219 193 K 4.2770 8.9596 124.8454 55.5221 32.8043 176.0889 194 V 4.7023 8.9790 126.9026 60.8023 33.6835 174.8380 195 A 4.7940 9.0299 130.1192 51.4084 20.0020 176.0346 196 K 4.2028 8.9489 121.0693 57.3218 32.4495 176.9540 197 G 4.0349 9.3220 115.5565 45.3965 0.0000 173.7610 198 S 4.4420 7.8802 116.0590 58.1671 64.3217 173.7744 199 K 4.6881 8.6731 121.7976 56.5775 32.4672 176.5964 200 A 4.7946 8.3164 123.6141 51.5105 23.0163 175.6859 201 G 4.1471 8.8839 110.1645 44.4636 0.0000 171.4890 202 Y 5.1900 9.1764 125.8353 56.3152 39.1389 175.0323 203 I 4.3735 7.7804 119.4216 60.5521 38.2738 177.2530 204 D 4.1427 7.0795 122.6542 57.2993 40.6531 176.9421 205 P 3.9092 0.0000 0.0000 64.6715 31.6049 177.7540 206 I 3.9769 6.9506 118.6845 63.1370 37.1289 176.3656 207 S 4.4683 7.7207 113.8381 56.3317 64.9938 174.2065 208 A 4.0893 8.2248 129.2260 53.7051 18.5867 178.0600 209 F 4.5612 7.1931 112.9135 58.4531 39.3847 176.0815 210 A 4.1280 7.3858 123.0221 52.1112 18.5776 177.5814 211 G 4.0850 8.3627 109.3517 44.5986 0.0000 173.3226 212 Q 4.0193 8.6681 118.6087 57.0989 29.7657 177.0211 213 L 3.8750 8.5262 122.7666 55.7210 39.0669 173.5233 214 N 5.2174 8.0952 117.4657 53.1497 41.2010 174.3972 215 M 5.2780 9.1837 126.2895 53.5860 34.6855 174.8281 216 L 4.7873 8.7674 126.8660 54.5187 43.8321 175.4846 217 L 5.3329 8.5822 124.4885 52.0349 45.4632 174.3909 218 P 4.1314 0.0000 0.0000 62.3226 32.1785 176.0393 219 R 4.4619 8.0964 117.6136 55.3256 31.3022 175.6432 220 H 4.1831 8.0704 114.1385 57.0171 29.1009 174.4320 221 S 4.4398 7.2711 113.2673 58.2646 64.2294 173.2336 222 T 4.9316 8.4350 119.4305 61.8041 71.5827 172.6340 223 Y 5.3316 7.9238 123.2289 55.4970 41.9820 173.6228 224 H 5.2777 8.9596 120.5506 54.8854 32.6205 174.0173 225 I 4.1419 8.2552 126.8248 60.5326 37.0231 176.1230 226 D 4.5042 8.9447 128.7102 56.7903 41.5463 176.9960 227 D 4.7943 7.8001 116.2459 52.9689 45.1525 174.1325 228 M 5.3361 8.7153 123.8477 53.7119 35.2518 174.7228 229 R 4.9933 8.8017 119.9710 54.0004 33.3807 175.0391 230 L 4.3508 8.4234 120.3991 54.7245 42.6352 176.7815 231 S 4.5154 8.6651 116.9298 57.4942 64.2367 175.4707 232 S 4.0230 8.7078 117.3616 61.4942 62.4084 174.6778 233 D 4.6573 8.0366 119.3565 54.4652 39.9170 176.7711 234 G 3.7916 7.9161 106.2475 47.5748 0.0000 175.8341 235 K 4.6706 7.4706 117.6066 55.8164 33.4534 176.3473 236 Q 4.8061 7.4601 117.5481 54.4798 33.7475 173.3921 237 I 4.4941 8.6293 124.1849 60.0505 39.2736 174.6619 238 I 4.7499 8.8192 128.9945 59.8399 39.0123 174.6272 239 I 4.7996 8.6096 128.9473 59.7867 39.6490 174.8047 240 T 4.7843 8.8117 123.7536 61.7537 70.6697 173.5274 241 A 5.1372 8.7386 127.3536 50.3843 23.4585 174.6019 242 T 4.7257 8.5075 116.2936 61.8518 71.1675 173.3422 243 M 4.7303 8.9112 127.6592 55.3277 33.2386 175.9564 244 M 4.4584 8.5324 124.6455 55.4911 32.2712 175.6166 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 44 N 8.42 4.65 0.00 2.67 2.72 0.00 0.00 6.87 6.82 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 45 T 8.12 4.38 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 1.15 0.00 0.00 46 Y 8.39 4.48 0.00 2.70 2.67 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 47 Q 8.54 3.80 0.00 1.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.75 0.00 0.00 0.00 0.00 0.00 1.29 1.96 0.00 48 E 8.37 4.87 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 49 F 8.64 4.26 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.52 4.33 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 1.21 0.00 0.00 51 N 7.71 4.88 0.00 2.78 2.67 0.00 0.00 6.79 7.88 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 52 I 8.49 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 1.64 1.19 0.91 0.00 0.00 53 D 8.02 4.37 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.96 3.92 0.00 2.40 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 55 A 7.80 3.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.06 3.92 0.00 2.06 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.50 7.81 57 A 8.13 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 58 W 8.05 4.05 0.00 3.37 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 59 G 7.95 2.36 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 0.00 60 N 8.12 4.18 0.00 2.71 2.87 0.00 0.00 7.05 7.12 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 61 A 7.41 3.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.55 3.69 0.00 1.80 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.00 63 Y 7.58 2.58 0.00 2.99 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 64 K 7.28 3.79 0.00 1.69 1.77 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.49 7.81 65 K 7.16 4.34 0.00 1.86 1.80 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.38 7.81 66 Y 7.76 4.26 0.00 2.63 2.73 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 67 G 7.76 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 68 L 7.54 4.20 0.00 1.65 1.61 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.47 4.28 0.00 4.03 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 70 K 8.52 4.01 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.54 7.81 71 S 8.02 4.07 0.00 3.91 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 72 E 7.68 3.91 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 73 K 7.77 3.97 0.00 1.94 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.55 7.81 74 E 8.19 4.00 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 75 A 8.18 4.03 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 76 I 7.60 3.72 2.04 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 1.24 0.60 0.92 0.00 0.00 77 V 7.84 3.96 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.99 4.24 0.00 1.88 1.92 0.00 1.99 0.00 0.00 1.96 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.54 7.81 153 T 8.15 3.89 4.44 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 1.23 0.00 0.00 154 A 8.27 4.16 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.40 4.39 0.00 3.20 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 0.00 156 E 8.28 3.71 0.00 2.03 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 2.53 2.49 0.00 157 K 8.10 4.08 0.00 2.17 1.95 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.80 1.61 7.81 158 A 8.23 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 7.98 3.81 0.00 1.74 1.69 0.00 1.49 0.00 0.00 1.40 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.91 0.40 7.81 160 A 7.55 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.90 3.86 0.00 1.76 1.64 0.00 1.82 0.00 0.00 1.26 0.00 0.00 2.65 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.32 1.11 7.81 162 F 7.96 4.82 0.00 3.27 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.23 4.05 0.00 1.58 1.66 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.53 4.26 0.00 2.90 2.85 0.00 0.00 7.04 6.44 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 0.00 165 K 7.92 4.73 0.00 1.77 1.66 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.60 1.64 7.81 166 D 8.47 5.20 0.00 2.53 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.39 4.47 0.00 1.68 1.00 0.00 2.88 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.35 0.00 168 L 8.25 4.63 0.00 1.36 1.18 0.42 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 169 E 8.58 4.45 0.00 2.18 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 2.30 2.50 0.00 170 Y 8.72 4.27 0.00 2.95 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 0.00 171 G 8.56 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 0.00 172 Y 8.44 4.61 0.00 3.05 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 0.00 173 I 8.24 4.44 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.77 0.61 0.00 0.00 174 S 8.73 5.09 0.00 4.00 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 0.00 175 T 8.76 4.86 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176 S 9.07 5.50 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 0.00 177 L 8.75 4.57 0.00 1.67 1.84 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 178 M 7.82 4.49 0.00 1.79 1.88 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 2.56 2.69 0.00 179 N 7.41 4.42 0.00 1.93 2.46 0.00 0.00 6.92 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.79 4.33 2.25 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 0.78 0.00 0.00 1.22 0.00 0.00 181 S 8.35 3.98 0.00 3.83 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 0.00 182 Q 7.80 3.92 0.00 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.83 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 183 F 8.52 4.99 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.75 4.39 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 0.00 185 G 7.86 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 0.00 0.00 0.00 186 R 7.62 4.78 0.00 1.80 2.00 0.00 3.33 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 187 P 0.00 4.45 0.00 2.09 2.10 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 188 I 7.87 4.84 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.84 0.00 0.00 189 I 8.52 4.87 1.86 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 1.26 0.87 1.03 0.00 0.00 190 T 8.61 4.71 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 -0.04 0.00 0.00 191 K 8.41 4.21 0.00 1.38 1.32 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.28 7.81 192 F 8.63 4.82 0.00 2.85 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 0.00 193 K 8.96 4.28 0.00 1.39 0.74 0.00 1.33 0.00 0.00 1.11 0.00 0.00 2.22 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.66 0.99 7.81 194 V 8.98 4.70 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 1.11 0.00 0.00 1.03 0.00 0.00 195 A 9.03 4.79 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 K 8.95 4.20 0.00 1.86 1.73 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.59 7.81 197 G 9.32 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 0.00 198 S 7.88 4.44 0.00 3.91 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 0.00 199 K 8.67 4.69 0.00 1.57 1.69 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.72 1.49 7.81 200 A 8.32 4.79 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 0.00 201 G 8.88 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 0.00 202 Y 9.18 5.19 0.00 3.17 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 0.00 203 I 7.78 4.37 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.95 0.00 0.00 204 D 7.08 4.14 0.00 2.36 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 0.00 205 P 0.00 3.91 0.00 0.62 1.58 0.00 3.24 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.96 0.00 206 I 6.95 3.98 1.98 0.00 0.00 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 1.41 0.51 0.95 0.00 0.00 207 S 7.72 4.47 0.00 3.76 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 A 8.22 4.09 0.97 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 0.00 209 F 7.19 4.56 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 A 7.39 4.13 1.30 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 0.00 211 G 8.36 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 0.00 0.00 0.00 212 Q 8.67 4.02 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 213 L 8.53 3.87 0.00 1.92 1.80 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 214 N 8.10 5.22 0.00 2.85 2.63 0.00 0.00 7.08 8.76 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 0.00 215 M 9.18 5.28 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.88 0.00 216 L 8.77 4.79 0.00 1.86 1.58 1.03 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 217 L 8.58 5.33 0.00 1.68 1.40 0.64 1.03 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 0.00 218 P 0.00 4.13 0.00 1.68 0.88 0.00 3.54 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 1.70 1.46 0.00 219 R 8.10 4.46 0.00 1.80 0.82 0.00 3.01 0.00 0.00 2.54 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.27 0.00 220 H 8.07 4.18 0.00 3.27 3.33 0.00 5.94 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 S 7.27 4.44 0.00 3.65 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 0.00 222 T 8.43 4.93 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 1.15 0.00 0.00 223 Y 7.92 5.33 0.00 3.26 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 0.00 224 H 8.96 5.28 0.00 3.41 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 I 8.26 4.14 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.10 0.91 0.00 0.00 226 D 8.94 4.50 0.00 2.53 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 D 7.80 4.79 0.00 2.66 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 0.00 228 M 8.72 5.34 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 229 R 8.80 4.99 0.00 1.89 2.02 0.00 2.77 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 230 L 8.42 4.35 0.00 1.44 1.46 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 231 S 8.67 4.52 0.00 3.87 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 0.00 232 S 8.71 4.02 0.00 3.98 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 D 8.04 4.66 0.00 2.82 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 0.00 234 G 7.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 K 7.47 4.67 0.00 1.87 1.80 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.48 7.81 236 Q 7.46 4.81 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.92 0.00 0.00 0.00 0.00 0.00 2.61 2.36 0.00 237 I 8.63 4.49 1.83 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 0.92 0.76 0.99 0.00 0.00 238 I 8.82 4.75 1.83 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 0.76 0.88 0.00 0.00 239 I 8.61 4.80 1.72 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 1.21 0.78 0.76 0.00 0.00 240 T 8.81 4.78 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 1.07 0.00 0.00 241 A 8.74 5.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 T 8.51 4.73 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 1.22 0.00 0.00 243 M 8.91 4.73 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 244 M 8.53 4.46 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.