NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4350 0.0000 0.0000 62.7763 32.6858 178.3538 3 T 4.3024 8.5539 120.6317 62.8896 67.5547 173.3295 4 I 4.1720 10.5522 115.6799 60.8513 40.1229 174.2819 5 P 4.2891 0.0000 0.0000 62.9738 31.4104 176.9732 6 L 4.1307 8.6233 124.0107 57.6156 42.7370 178.7998 7 S 4.5727 8.3407 114.9231 61.8129 62.7476 176.4278 8 R 3.9928 8.0289 119.9406 58.7286 29.6703 179.1525 9 L 3.8646 8.0948 119.5861 57.8821 41.5327 179.0118 10 F 4.1092 7.8534 115.8037 61.4231 39.0287 176.7265 11 Q 4.0381 8.7563 119.6410 57.9946 28.7565 177.4656 12 N 4.1259 9.0728 117.6967 56.9695 39.2229 177.0251 13 A 3.9968 8.0123 121.7157 55.3627 18.4821 179.4483 14 M 3.9940 8.1699 117.1731 58.6053 32.0352 178.5834 15 L 3.9427 8.0021 118.3913 58.4363 41.8914 179.9851 16 R 3.9697 8.2021 117.1519 58.9623 29.8979 178.9206 17 A 4.1156 8.7357 121.0598 54.8162 18.4599 179.0971 18 H 4.4511 8.1872 114.8235 58.3986 27.7883 177.5882 19 R 3.9337 8.4235 120.9961 58.9190 29.1924 177.8477 20 L 4.3756 7.8226 119.7135 57.3509 42.3729 177.7961 21 H 4.0266 8.3505 118.5533 59.4154 29.6651 177.2675 22 Q 4.0735 8.1473 119.7652 58.8402 28.4983 178.6209 23 L 4.0260 7.4359 119.8741 57.0141 41.6965 179.2919 24 A 3.2860 7.1889 120.1030 54.8922 18.2272 179.5126 25 F 4.1941 8.5925 119.2826 61.0214 39.2296 176.4155 26 D 4.3183 8.3372 118.5941 57.7632 40.8408 178.0271 27 T 3.8490 7.9961 115.8373 66.8948 68.4121 175.8619 28 Y 4.1503 8.1662 121.4580 60.7378 38.5768 177.5926 29 E 3.3741 7.5976 119.5536 59.4434 29.5827 179.5130 30 E 4.6126 7.6732 118.5907 58.9916 29.4847 178.5872 31 F 4.1521 7.6604 121.0021 61.0715 39.5893 176.6647 32 E 4.2076 7.8240 117.2431 59.3699 29.5232 179.0524 33 E 3.8595 7.5663 119.4692 58.9656 29.4170 178.7619 34 A 4.0165 7.6232 116.6400 53.8857 18.1942 176.8009 35 Y 4.5059 7.6381 113.7935 58.6343 41.3329 176.7794 36 I 4.0432 8.1324 127.7950 59.8425 36.0740 175.1750 *37 P 4.2651 0.0000 0.0000 61.9071 32.6511 176.9725 *40 Q 4.3572 8.2841 117.6172 55.4389 30.8072 176.2971 41 K 4.2471 8.1440 119.1190 59.9920 32.3017 178.9214 42 Y 4.8164 7.9383 117.8814 58.0662 38.9749 177.1600 43 S 4.0803 8.1891 114.7366 60.3135 63.2770 175.9030 44 F 4.9027 7.7831 111.3949 55.6629 38.4438 175.3904 45 L 4.2402 8.4610 123.6022 58.6688 41.6345 178.5545 46 Q 4.1712 8.3958 118.2117 58.4802 28.7475 177.9334 47 A 4.0145 7.9601 121.0314 54.8341 18.5955 177.5471 48 P 4.3881 0.0000 0.0000 64.5844 31.3546 176.0767 49 Q 4.6152 7.5211 117.3420 57.8318 29.9055 175.3872 50 A 3.8377 7.6523 122.8594 53.0972 18.0677 180.0468 51 S 3.3554 8.4794 121.4049 60.3239 62.0077 171.7151 52 L 3.8979 8.0678 116.0210 55.4665 39.5845 174.3552 53 C 4.2689 8.5431 115.6887 56.4900 39.5168 172.5068 54 F 4.5922 7.7138 113.2542 57.4083 37.9725 177.2498 55 S 4.2542 7.6755 114.9202 60.5182 63.2707 174.4490 56 E 4.6966 7.7605 120.6508 54.5658 28.3837 175.2068 57 S 4.8129 7.7317 118.0113 57.6074 69.8767 174.9647 58 I 4.3452 7.7847 131.7029 57.5581 39.1481 173.4432 59 P 4.2451 0.0000 0.0000 64.0981 31.3118 178.3905 60 T 3.9154 7.9496 117.2229 63.3611 65.1881 172.6225 61 P 4.8398 0.0000 0.0000 61.9676 30.1691 177.9833 62 S 4.6027 7.7188 111.5297 56.8608 65.2708 171.9133 63 N 4.8437 8.4090 124.4224 52.4865 41.6868 173.3679 64 R 4.6782 8.3627 121.5746 55.3004 30.2704 175.8710 65 E 4.5576 9.1211 123.7214 54.7285 32.9561 174.0232 66 Q 4.2213 8.7644 126.9773 55.1136 28.9296 174.8831 67 A 4.4930 8.5369 127.3339 52.0564 18.9766 176.5445 68 Q 4.4284 8.2378 119.7621 54.6604 30.5233 174.9504 69 Q 4.2209 8.3645 120.8159 55.3119 29.6591 174.9485 70 K 4.6338 8.2764 123.6542 54.7813 36.3789 174.5732 71 S 4.6876 8.2355 113.3729 56.6288 62.0980 174.3704 72 N 4.2896 8.9150 125.6817 56.2089 38.6293 176.2195 73 L 4.0485 7.7931 118.4574 56.2308 42.7241 177.9671 74 Q 4.2026 8.0956 117.1503 58.2161 28.7624 177.8188 75 L 3.9151 7.8322 119.0996 57.5755 41.9213 178.9785 76 L 4.1444 7.4816 117.9857 57.5526 41.3148 179.0436 77 R 3.8031 8.1950 118.3197 59.8415 29.9648 178.7078 78 I 3.5147 8.2011 118.6220 64.7995 37.3568 177.3115 79 S 4.2118 8.5943 117.3630 58.9840 62.3305 175.9476 80 L 3.7992 7.2069 127.0949 58.2118 42.5309 179.4661 81 L 3.5151 7.6210 118.8873 57.6029 41.3776 179.0758 82 L 3.2928 7.7873 117.5806 56.7424 41.6731 178.6403 83 I 4.2667 7.3194 117.4895 63.2171 38.6264 177.2936 84 Q 4.0295 7.8848 117.4337 58.8423 28.6160 178.8412 85 S 4.2227 8.2869 114.5970 61.3666 62.4490 176.3646 86 W 4.2594 7.9510 120.8938 59.5862 28.5403 178.1889 87 L 4.0262 7.9323 118.1170 57.1721 40.9883 178.8059 88 E 4.1155 8.2182 119.5723 59.3511 29.8594 176.0527 89 P 4.2941 0.0000 0.0000 64.9649 32.2331 176.7259 90 V 3.4944 7.6952 116.4997 61.5667 29.6093 175.3450 91 G 4.4291 8.7370 108.9809 46.3475 0.0000 171.5872 92 F 4.6961 8.0665 118.5453 58.0505 41.6481 174.8379 93 L 4.0920 8.1229 122.4285 55.2369 42.2959 176.7067 94 R 4.5688 8.4154 125.5850 54.6165 32.4094 177.1803 95 S 4.2388 8.6015 112.2684 61.5081 62.9833 176.4670 96 V 3.6129 8.0448 119.8436 65.5962 30.7746 176.2078 97 F 4.5537 7.5693 120.1920 59.4485 39.8212 176.2710 98 A 4.5558 7.7104 124.5383 51.2634 19.3254 176.7771 99 N 4.3346 8.0583 119.7060 54.5017 39.7264 174.6987 100 S 4.4624 8.4402 122.2585 57.3646 62.1369 173.8419 101 L 3.7293 8.4789 126.1609 56.8605 41.6320 178.1154 102 V 4.4832 7.1521 119.0820 61.4585 32.0152 174.2296 103 Y 4.8611 8.5563 123.8014 56.1446 40.3308 174.0117 104 G 3.9668 8.2890 108.4249 43.8572 0.0000 173.2546 105 A 4.3053 8.3846 126.5933 50.6554 16.9783 177.5970 106 S 4.1834 8.0417 117.5139 59.7157 64.1028 177.9213 107 D 4.9414 7.8495 123.7511 55.2087 41.8159 179.1723 108 S 4.6412 8.0974 103.3570 56.1729 61.1827 172.9713 109 D 4.2429 7.1255 120.1600 56.7226 41.5495 178.3106 110 V 4.4952 7.6770 109.3576 60.9615 33.8600 176.5779 111 Y 4.4136 7.6554 118.7335 58.9555 38.4831 176.1843 112 D 4.4866 8.2571 119.8358 56.3823 42.4403 178.0641 113 L 4.3157 8.6289 121.1026 57.3411 43.2079 177.8834 114 L 4.1135 7.4341 118.7228 57.4748 41.6560 179.2659 115 K 3.9480 7.9914 117.4265 60.2162 32.2532 178.8955 116 D 4.4238 7.9266 118.1877 57.4319 40.6882 178.9035 117 L 4.0577 7.7970 121.3010 57.8740 41.8515 178.6939 118 E 4.0720 8.0566 116.2775 58.8948 30.2389 178.3019 119 E 4.1729 8.1462 119.4162 59.4573 29.2720 179.6350 120 G 3.5950 8.5562 105.9758 47.5208 0.0000 174.6190 121 I 3.9236 7.6078 117.8748 61.6799 38.3219 177.3959 122 Q 4.0722 8.0254 119.0091 59.8982 28.6697 177.8481 123 T 3.8525 7.0540 112.2750 63.9960 67.5461 173.9760 124 L 4.4673 7.8283 118.9292 55.4950 43.0334 176.8897 125 M 4.2995 7.9245 116.2667 56.7987 32.4035 178.4185 126 G 3.9523 8.1193 107.2124 47.8683 0.0000 173.5964 127 R 4.4128 7.9388 117.3620 56.2441 30.3838 176.1610 128 L 4.7532 8.5015 114.5393 55.3736 44.6052 179.4222 129 E 3.7329 7.2687 119.3198 58.6948 30.7787 176.7337 130 D 4.7241 7.8847 116.5353 55.9727 42.2978 178.8394 131 G 3.7193 8.1266 106.4496 48.7236 0.0000 173.8497 132 S 4.7001 7.4844 114.5561 56.0768 64.8443 172.7471 133 P 4.7830 0.0000 0.0000 62.7041 32.2248 176.9455 134 R 3.5385 8.5493 108.7266 57.1828 27.4263 178.0821 135 T 4.1974 7.8715 114.0454 61.7381 66.7681 176.1271 136 G 3.9710 7.4080 117.9766 46.9945 0.0000 171.7535 137 Q 4.4914 7.7582 121.6321 54.0916 30.5778 175.0671 138 A 4.2335 8.2409 127.9888 55.3087 19.8620 174.1166 139 F 5.2397 8.4889 120.0166 56.2141 40.2696 173.3191 140 K 4.0615 5.9237 123.8451 55.7736 32.3028 177.0373 141 Q 4.4271 8.2970 121.9924 54.5048 32.2998 174.5173 142 T 4.5243 8.4447 117.2827 61.4215 68.6425 173.6830 143 Y 4.4766 8.0652 121.5617 57.8359 39.2269 175.4918 144 A 3.8981 7.5924 122.1354 51.0691 17.6883 176.9841 145 K 3.9888 7.9834 125.5782 57.7692 32.0349 177.2335 146 F 4.5388 8.7159 118.7714 57.3924 42.5802 173.8114 147 D 5.1232 8.1050 119.1667 52.4226 42.7686 176.6777 *148 A 3.9994 7.7348 124.1929 51.6901 19.5277 178.0154 149 N 4.7854 8.0339 115.7417 50.7020 37.8437 172.5985 150 S 5.1717 7.7721 118.2360 56.9767 62.8407 172.0782 151 H 5.0328 8.3918 115.9564 53.9356 30.5273 172.7428 152 N 5.0288 8.4263 117.7127 52.5986 42.4143 173.5236 153 D 5.0024 8.5964 117.0054 54.7844 42.0488 176.1572 154 D 4.6886 7.8741 115.9178 56.3475 43.3398 178.7296 155 A 3.8390 7.4974 120.5349 54.4808 19.0519 179.2570 156 L 4.0014 7.8668 118.3429 58.8538 40.6088 178.8907 157 L 3.8509 8.3994 118.1900 56.0679 41.9237 179.2114 158 K 4.0989 7.8434 119.1672 59.4568 32.2384 178.2742 159 N 4.3325 8.3980 116.9408 57.0451 38.5244 176.4659 160 Y 4.4392 9.0860 121.6417 60.9762 38.8973 178.2816 161 G 3.8259 8.1723 105.1810 48.2754 0.0000 175.4280 162 L 4.4892 7.9947 121.3961 57.3177 41.5807 179.2928 163 L 4.2812 8.0457 116.4536 56.6863 41.8585 177.7505 164 Y 3.6027 7.9843 120.4169 59.8120 39.0181 176.2645 165 C 4.3238 8.8881 117.7886 60.3092 40.2530 175.6357 166 F 4.6748 8.8595 119.1356 59.6203 38.9414 176.1516 167 R 4.2165 8.4633 118.2825 59.2785 29.6228 177.3248 168 K 4.3889 7.8929 117.1538 57.0417 32.7132 176.1717 169 D 5.1061 8.6952 117.9932 53.2648 39.9651 175.4404 170 M 4.7802 7.8657 116.8310 56.8216 38.3798 175.4458 171 D 4.3517 8.1988 117.8793 56.7212 40.9788 177.9299 172 K 3.1893 7.6426 117.4985 57.6584 32.8456 178.4621 173 V 3.7946 7.6546 118.1976 64.3442 31.3665 176.8863 174 E 4.3614 7.7405 115.6573 58.2327 30.9702 178.1893 175 T 3.8465 7.2465 115.6134 66.3634 68.5700 176.6053 176 F 4.7736 7.4806 117.3521 59.3356 39.1117 176.8264 177 L 4.4501 7.5269 119.7871 56.0961 41.7388 178.6965 178 R 3.9458 8.4645 119.7987 59.2039 29.9593 178.3374 179 I 3.7118 8.0708 119.8214 64.7047 37.1342 178.8705 180 V 3.7999 7.7461 112.8732 63.5103 31.1234 177.6467 181 Q 4.0870 8.6737 116.5728 56.3802 29.5827 175.1613 182 C 5.1405 7.7510 118.9002 55.5480 40.5016 173.1612 183 R 4.5574 7.5536 117.8714 57.2053 36.7130 175.1022 184 S 4.5850 8.1392 111.1128 58.1491 63.3862 173.3473 185 V 4.3746 6.9158 113.4985 59.7216 35.5881 173.7623 186 E 4.3601 8.5214 118.4837 55.5841 30.8370 177.4128 187 G 3.7541 8.8565 113.0764 45.2052 0.0000 172.6430 188 S 3.7724 8.4460 110.9048 58.7641 60.6175 171.8428 189 C 4.8127 7.9947 119.2904 56.9977 48.8850 175.1404 190 G 3.7425 8.9536 116.4150 46.2208 0.0000 173.7896 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 P 0.00 4.43 0.00 2.20 1.35 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 3 T 8.55 4.30 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 4 I 10.55 4.17 1.88 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 1.57 0.60 0.93 0.00 0.00 5 P 0.00 4.29 0.00 2.27 2.27 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 6 L 8.62 4.13 0.00 1.76 1.82 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.34 4.57 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.03 3.99 0.00 2.22 2.01 0.00 3.19 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 9 L 8.09 3.86 0.00 1.86 1.31 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.85 4.11 0.00 3.18 3.25 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 11 Q 8.76 4.04 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 12 N 9.07 4.13 0.00 2.74 3.05 0.00 0.00 7.27 7.95 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 13 A 8.01 4.00 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 14 M 8.17 3.99 0.00 2.06 2.60 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 2.80 2.74 0.00 15 L 8.00 3.94 0.00 1.74 1.74 0.93 0.94 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 16 R 8.20 3.97 0.00 1.87 1.99 0.00 3.39 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 17 A 8.74 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.19 4.45 0.00 3.20 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.42 3.93 0.00 2.04 2.11 0.00 3.12 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 20 L 7.82 4.38 0.00 2.05 1.64 0.99 0.74 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 21 H 8.35 4.03 0.00 3.44 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.15 4.07 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 23 L 7.44 4.03 0.00 1.73 1.63 1.00 0.93 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 24 A 7.19 3.29 0.13 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 25 F 8.59 4.19 0.00 3.04 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 26 D 8.34 4.32 0.00 2.85 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 27 T 8.00 3.85 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 1.14 0.00 0.00 28 Y 8.17 4.15 0.00 3.08 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 29 E 7.60 3.37 0.00 1.96 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 0.00 1.47 2.12 0.00 30 E 7.67 4.61 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.20 0.00 31 F 7.66 4.15 0.00 3.12 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.82 4.21 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.17 0.00 33 E 7.57 3.86 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 34 A 7.62 4.02 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 35 Y 7.64 4.51 0.00 2.75 2.59 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 36 I 8.13 4.04 1.94 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 1.00 0.38 0.91 0.00 0.00 *37 P 0.00 4.27 0.00 1.83 1.86 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.11 0.00 *40 Q 8.28 4.36 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.04 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 41 K 8.14 4.25 0.00 2.03 2.14 0.00 2.13 0.00 0.00 2.12 0.00 0.00 3.30 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.77 1.59 7.81 42 Y 7.94 4.82 0.00 2.85 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 43 S 8.19 4.08 0.00 3.78 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 44 F 7.78 4.90 0.00 2.99 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0.00 0.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 53 C 8.54 4.27 0.00 3.14 3.17 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 54 F 7.71 4.59 0.00 2.99 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 55 S 7.68 4.25 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.76 4.70 0.00 1.91 1.81 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 2.20 2.22 0.00 57 S 7.73 4.81 0.00 4.12 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 58 I 7.78 4.35 1.85 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.89 0.00 0.00 59 P 0.00 4.25 0.00 2.07 2.19 0.00 3.76 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 60 T 7.95 3.92 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 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2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 70 K 8.28 4.63 0.00 1.67 1.64 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.44 7.81 71 S 8.24 4.69 0.00 3.82 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.91 4.29 0.00 2.81 2.92 0.00 0.00 6.73 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.79 4.05 0.00 1.69 1.65 0.93 1.21 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 74 Q 8.10 4.20 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 75 L 7.83 3.92 0.00 1.60 1.76 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.48 4.14 0.00 1.70 1.68 0.95 0.73 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 77 R 8.20 3.80 0.00 1.86 1.93 0.00 3.12 0.00 0.00 3.17 7.54 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.08 0.00 0.00 103 Y 8.56 4.86 0.00 2.91 2.74 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 0.00 104 G 8.29 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.38 4.31 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.04 4.18 0.00 3.88 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 0.00 107 D 7.85 4.94 0.00 2.60 2.05 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 0.00 108 S 8.10 4.64 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.13 4.24 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.68 4.50 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 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119 E 8.15 4.17 0.00 2.23 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 2.53 2.48 0.00 120 G 8.56 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 7.61 3.92 2.19 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 1.48 1.11 0.92 0.00 0.00 122 Q 8.03 4.07 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 123 T 7.05 3.85 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 1.18 0.00 0.00 124 L 7.83 4.47 0.00 1.56 1.53 0.46 0.36 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 0.00 125 M 7.92 4.30 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 126 G 8.12 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 0.00 0.00 0.00 127 R 7.94 4.41 0.00 1.96 1.92 0.00 3.18 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 128 L 8.50 4.75 0.00 1.63 1.60 1.00 0.81 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 0.00 129 E 7.27 3.73 0.00 2.07 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 2.29 2.40 0.00 130 D 7.88 4.72 0.00 2.87 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.13 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 7.48 4.70 0.00 3.64 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 0.00 133 P 0.00 4.78 0.00 2.16 2.18 0.00 3.87 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 1.89 2.09 0.00 134 R 8.55 3.54 0.00 1.98 2.04 0.00 3.23 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 135 T 7.87 4.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 136 G 7.41 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 7.76 4.49 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 138 A 8.24 4.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.49 5.24 0.00 3.06 3.28 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 0.00 140 K 5.92 4.06 0.00 1.47 1.48 0.00 1.49 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.46 0.37 7.81 141 Q 8.30 4.43 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 142 T 8.44 4.52 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 1.19 0.00 0.00 143 Y 8.07 4.48 0.00 2.83 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 0.00 144 A 7.59 3.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.98 3.99 0.00 1.58 1.56 0.00 1.55 0.00 0.00 1.16 0.00 0.00 2.95 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.92 0.21 7.81 146 F 8.72 4.54 0.00 2.80 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 0.00 147 D 8.10 5.12 0.00 2.74 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 *148 A 7.73 4.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.03 4.79 0.00 2.77 2.78 0.00 0.00 6.42 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 0.00 150 S 7.77 5.17 0.00 4.14 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 0.00 151 H 8.39 5.03 0.00 3.30 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.43 5.03 0.00 2.68 2.76 0.00 0.00 6.74 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 0.00 153 D 8.60 5.00 0.00 2.61 2.62 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 0.00 154 D 7.87 4.69 0.00 2.76 2.59 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 0.00 155 A 7.50 3.84 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 0.00 156 L 7.87 4.00 0.00 1.61 1.81 0.58 0.40 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 0.00 157 L 8.40 3.85 0.00 1.65 1.69 0.78 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.84 4.10 0.00 2.10 1.83 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.63 7.81 159 N 8.40 4.33 0.00 2.93 3.03 0.00 0.00 6.72 8.28 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 0.00 160 Y 9.09 4.44 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.17 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.99 4.49 0.00 2.34 2.41 0.90 0.86 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 0.00 163 L 8.05 4.28 0.00 1.50 1.65 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 7.98 3.60 0.00 2.44 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 0.00 165 C 8.89 4.32 0.00 3.32 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 8.86 4.67 0.00 2.61 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 0.00 167 R 8.46 4.22 0.00 1.81 2.21 0.00 3.54 0.00 0.00 3.38 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 168 K 7.89 4.39 0.00 1.88 1.78 0.00 1.47 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.50 1.48 7.81 169 D 8.70 5.11 0.00 2.96 2.84 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 0.00 170 M 7.87 4.78 0.00 1.80 2.18 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.42 0.00 171 D 8.20 4.35 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 3.19 0.00 1.70 1.62 0.00 1.89 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.30 1.10 7.81 173 V 7.65 3.79 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 1.06 0.00 0.00 0.96 0.00 0.00 174 E 7.74 4.36 0.00 1.80 1.98 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 2.28 2.26 0.00 175 T 7.25 3.85 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 0.00 176 F 7.48 4.77 0.00 3.27 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 7.53 4.45 0.00 2.03 1.77 0.99 0.78 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 0.00 178 R 8.46 3.95 0.00 1.95 2.16 0.00 3.14 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 179 I 8.07 3.71 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 1.65 0.80 0.94 0.00 0.00 180 V 7.75 3.80 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.19 0.00 0.00 181 Q 8.67 4.09 0.00 2.12 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 182 C 7.75 5.14 0.00 2.96 3.06 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 0.00 183 R 7.55 4.56 0.00 1.94 1.81 0.00 3.19 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 184 S 8.14 4.58 0.00 3.70 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 0.00 185 V 6.92 4.37 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 0.45 0.00 0.00 0.73 0.00 0.00 186 E 8.52 4.36 0.00 2.01 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 2.16 2.29 0.00 187 G 8.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 S 8.45 3.77 0.00 4.00 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 0.00 189 C 7.99 4.81 0.00 2.91 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 0.00 190 G 8.95 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.