NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.5289 8.1733 120.0793 56.3361 34.5502 173.9841 5 I 4.9672 9.5457 123.1465 59.1277 40.6070 173.1331 6 A 5.3487 9.3821 127.7982 50.0939 23.2122 174.5098 7 V 4.8783 8.8255 120.9587 61.0640 34.5787 174.5560 8 V 4.9133 8.8554 127.5687 61.3823 34.0283 174.6397 9 T 4.6925 8.6596 118.2423 60.6201 71.7591 174.6336 10 G 3.6371 8.6869 107.8688 46.6868 0.0000 175.8312 11 A 4.0791 8.4282 124.9044 54.0244 18.4932 179.4334 12 T 4.4000 7.7893 103.8336 61.3226 69.5493 175.2544 13 G 4.0046 7.9519 110.3278 43.8767 0.0000 175.1346 14 G 3.6398 8.4789 106.4699 48.0580 0.0000 175.4925 15 M 4.1288 8.1712 121.2556 58.1949 31.9923 178.9122 16 G 3.6675 8.0636 104.9024 47.9195 0.0000 175.3620 17 I 3.6890 7.8854 122.2983 64.2961 37.1113 178.4387 18 E 3.9876 7.9732 119.2594 59.3452 29.1734 179.4818 19 I 3.6869 7.8494 119.9214 64.3583 37.1003 178.7153 20 V 3.5081 7.9678 119.1427 65.9070 31.1533 178.1393 21 K 3.9009 7.7835 117.2402 59.4164 32.2654 178.5983 22 D 4.4405 8.2100 118.2098 57.4414 41.3586 178.4136 23 L 4.0891 8.6784 120.1751 57.4087 41.3504 178.9337 24 S 4.6881 7.9540 113.5417 59.2384 63.0219 176.0339 25 R 4.1759 7.7772 122.2638 58.7629 29.8709 176.8393 26 D 4.8211 8.0204 113.3404 52.8572 40.7478 174.2011 27 H 5.2266 7.8914 116.0208 54.2454 33.7499 172.1382 28 I 4.3098 8.6249 121.2830 60.7492 38.7814 175.2048 29 V 4.7126 8.2440 126.6741 61.2696 33.9957 174.1736 30 Y 4.6009 9.5129 127.0147 57.3984 38.7056 174.6303 31 A 4.8676 8.6296 128.2500 50.4851 20.7505 175.5505 32 L 5.1569 8.4111 123.8171 53.5108 43.5451 176.7139 33 G 4.0476 8.4338 112.6159 46.6462 0.0000 173.2220 34 R 4.2303 8.6511 116.4012 57.7137 30.6809 172.6244 35 N 4.6795 8.2540 118.4843 52.2255 39.6492 174.0306 36 P 4.3883 0.0000 0.0000 65.8975 31.5493 179.2295 37 E 3.9529 8.1759 116.9621 61.5790 29.7838 182.0390 38 H 4.5436 8.1734 117.1622 58.4708 28.7142 178.0666 39 L 3.9724 7.9966 120.7242 57.7988 41.2777 179.3289 40 A 4.0107 8.2471 119.6749 54.9686 18.5398 179.3836 41 A 4.0725 7.9682 119.3356 55.4239 18.4794 179.7194 42 L 3.9313 8.4992 117.6552 58.0300 41.4811 179.5237 43 A 4.1062 8.0761 121.4758 54.8124 18.4258 179.4561 44 E 4.1110 7.8237 115.2997 58.8040 30.5467 182.3960 45 I 4.2582 7.5894 122.4190 61.3886 38.1315 175.9686 46 E 4.0867 8.6764 121.1303 57.7210 30.0059 175.0458 47 G 3.8737 8.9352 111.0247 44.6083 0.0000 172.1741 48 V 4.3902 7.3802 119.5239 61.4680 32.7971 175.1349 49 E 4.5382 8.8163 128.6607 53.8729 30.8312 173.6846 50 P 4.6622 0.0000 0.0000 62.7063 32.9400 176.3055 51 I 4.5056 8.6662 122.5145 59.4940 40.5754 173.9897 52 E 4.6724 8.8199 128.9984 55.9346 30.2649 175.8082 53 S 4.7382 8.4436 120.7515 57.3608 66.3443 173.4297 54 D 4.6572 9.0158 127.1963 52.8024 40.5810 176.5991 55 I 3.7506 8.1633 127.7589 63.7136 38.0216 177.6248 56 V 3.6134 7.8389 121.1916 66.4632 31.5373 178.3441 57 K 3.9110 8.0563 123.0152 60.1626 31.4552 180.6816 58 E 4.3351 8.2546 119.9610 59.0517 29.2210 179.7249 59 V 3.5613 7.7602 117.2602 65.7106 31.7160 177.6598 60 L 4.3147 8.1268 119.9755 57.9078 42.0206 178.7149 61 E 4.2066 8.0624 113.2218 58.0313 30.0307 178.9583 62 E 4.5250 8.2420 116.0637 55.8717 29.6551 177.1275 63 G 3.8656 7.6600 108.6962 44.9780 0.0000 173.6301 64 G 4.2207 6.8181 104.8585 42.2661 0.0000 172.5657 65 V 4.1739 7.9043 119.7096 61.0947 32.8043 175.4489 66 D 4.4179 8.9944 127.8052 57.8949 40.6931 179.1084 67 K 4.2431 7.9876 114.7092 57.9026 32.2952 177.6414 68 L 4.2634 7.7362 118.7102 54.8386 42.4090 178.8189 69 K 3.9341 7.9074 118.4635 59.0106 32.0141 177.5419 70 N 4.7587 7.8880 113.1107 52.7842 38.8222 174.8455 71 L 4.1506 7.3936 120.1484 54.6301 42.3189 176.6489 72 D 4.7820 8.6699 121.1048 53.4381 40.9581 175.5471 73 H 5.1766 8.0877 116.5592 53.7780 31.9050 172.8653 74 V 4.3271 7.9894 122.6048 61.5066 33.9499 175.4225 75 D 4.6741 9.1415 128.7532 56.7160 42.4463 176.9269 76 T 5.0414 7.8110 114.6166 61.6923 72.8568 172.7482 77 L 5.0185 9.0402 128.8730 53.0669 45.1980 175.0242 78 V 4.5972 8.7614 126.2763 61.4791 34.5335 174.0344 79 H 4.6649 9.0947 126.3701 54.6039 28.9558 174.9719 80 A 4.7866 8.2556 121.9379 51.3150 20.2272 177.5355 81 A 4.1022 7.6287 119.3087 52.2828 19.0789 177.1657 *93 S 4.5185 8.5534 106.7920 58.5957 64.4111 177.2372 94 V 3.8218 7.9111 118.9117 65.8737 31.1413 177.6877 95 A 4.1573 8.0486 120.3115 54.9803 18.3361 179.0179 96 E 4.0310 8.1385 117.4324 58.8420 29.7844 178.9400 97 W 4.0076 8.2527 119.3760 60.1406 29.1299 178.2165 98 H 4.3932 8.4706 115.9827 58.6828 28.2372 177.8175 99 A 4.0191 8.2158 122.7060 55.4447 18.1597 179.5184 100 H 4.0112 8.2712 114.6579 59.0253 28.8660 178.0602 101 L 4.0447 8.0897 120.7314 57.8426 41.3734 179.1336 102 D 4.3907 8.2981 118.8365 57.6247 40.6382 178.8877 103 L 3.9565 7.6365 118.7888 57.9295 42.2217 178.0344 104 N 4.6154 8.3942 115.3275 54.3165 39.2086 175.8793 105 V 4.1766 7.4558 116.3525 64.5953 33.4125 177.5280 106 I 3.7614 7.8731 119.3470 64.0781 36.9749 178.6345 107 V 3.5655 8.0424 119.3996 65.6656 31.3691 176.3572 108 P 4.0109 0.0000 0.0000 65.2548 31.1770 178.3472 109 A 3.8134 7.8189 119.3817 55.2302 18.2818 179.2328 110 E 3.9934 8.4497 117.8249 58.7711 29.8851 178.4568 111 L 3.9680 8.4930 120.9261 58.1177 41.9317 179.1472 112 S 4.0800 7.9426 114.1683 61.4919 63.0559 176.0869 113 R 4.1417 7.8934 121.3759 59.9291 29.6816 178.6088 114 Q 4.0959 8.6007 117.7250 58.1846 28.6484 177.6907 115 L 4.5122 7.6406 117.9723 54.1935 41.9780 177.7722 116 L 3.9999 7.7462 122.5049 58.2116 41.9731 177.3137 117 P 4.1937 0.0000 0.0000 65.4437 31.3248 178.5112 118 A 4.7066 7.8135 120.5592 54.6578 18.3550 179.5746 119 L 4.2320 8.0325 118.9530 57.3545 41.7215 179.9760 120 R 3.8672 8.7411 118.2297 59.1928 29.8378 178.7551 121 A 3.8670 8.0978 120.4633 55.2126 18.3530 178.4213 122 A 4.0703 7.9200 115.7371 52.5273 19.0605 177.2015 123 S 4.0689 7.1380 110.9311 58.0615 61.3697 171.9558 124 G 4.2212 7.9058 108.0619 45.4070 0.0000 173.0019 125 C 5.5732 9.0853 113.5604 56.3394 33.4192 173.1640 126 V 4.7247 8.9090 120.7930 61.2335 33.8234 174.2556 127 I 4.9599 8.6967 128.3996 59.7005 40.6546 173.8408 128 Y 4.8148 8.9682 124.8626 56.3145 40.0695 175.1531 129 I 4.5198 8.2460 126.1966 60.5885 37.4837 175.3291 130 N 4.5216 9.1818 127.4041 52.6058 40.7489 174.3940 *140 G 3.8099 8.4177 111.9064 45.1579 0.0000 173.3649 141 N 4.1836 8.7749 120.7988 56.7713 38.7258 177.8263 142 T 3.9708 7.8407 116.2874 66.7541 68.5476 176.5708 143 I 2.4676 7.2138 121.1397 63.6730 37.1391 177.6771 144 Y 3.8235 7.8218 120.2476 60.4434 38.7805 177.6871 145 A 3.9967 8.5987 121.9903 55.1894 18.5697 179.5188 146 A 4.0853 7.9324 119.1753 55.3053 18.4816 180.0533 147 S 4.1516 8.0547 113.1704 61.1971 63.2454 176.8454 148 K 4.3070 7.7093 123.8571 59.6607 32.2753 178.9842 149 H 4.1243 8.0734 116.9843 58.2110 28.5787 177.6581 150 A 3.9468 8.1027 122.6290 55.0672 18.2298 179.2955 151 L 3.7447 8.3951 119.1588 58.3685 42.1113 179.1639 152 R 3.9196 7.9258 118.5931 59.2780 29.9942 178.7612 153 G 3.5234 8.5482 105.9520 47.5357 0.0000 175.1567 154 L 3.8597 8.2202 123.3280 57.8612 41.9631 178.8200 155 A 3.6388 7.8945 120.6620 55.4563 18.0760 179.4518 156 D 4.3511 8.0891 116.9699 57.3456 40.8484 178.8854 157 A 4.0628 8.1999 121.4337 54.6961 18.5911 179.4071 158 F 4.1501 8.6917 119.8560 61.4084 39.3327 177.0237 159 R 3.8555 8.4934 118.7892 59.6934 29.5651 178.6087 160 K 3.9694 7.5332 116.4704 59.5252 32.1332 178.9504 161 E 4.0652 8.0907 117.7979 58.5541 29.5927 178.2301 162 E 4.3428 7.6389 115.3970 55.4953 29.6947 177.4950 163 A 3.9208 7.4843 123.7891 55.5289 18.4265 179.4563 164 N 4.5718 8.0158 109.3011 54.8821 38.7570 175.3963 165 N 4.5820 8.2137 115.6808 52.6836 39.0988 175.6882 166 G 3.8595 7.8744 105.8784 45.9620 0.0000 172.6830 167 I 4.8200 7.5241 119.5220 59.5321 38.8284 175.2634 168 R 4.6980 8.6475 125.7367 54.5809 32.5493 175.4544 169 V 5.1046 8.3371 121.6245 61.4209 34.5485 174.7386 170 S 5.2271 9.4585 122.6792 57.0400 67.6625 172.9278 171 T 5.1736 9.0484 112.9482 59.9645 71.8891 172.7222 172 V 4.6701 8.7651 124.7495 61.5597 33.8994 174.5044 173 S 4.8119 9.2934 125.1888 56.3202 63.9168 172.4355 174 P 5.5656 0.0000 0.0000 60.4784 33.2497 173.9197 175 G 3.1207 8.3884 110.5661 45.7393 0.0000 174.1461 *199 I 3.8462 7.1750 119.4304 60.4595 38.8030 176.1597 200 E 3.9024 8.8111 124.2399 56.6307 30.0982 176.2073 201 P 4.3237 0.0000 0.0000 66.5363 31.3345 179.5226 202 K 4.1355 8.0229 121.4230 59.4199 31.5690 180.8658 203 E 4.2135 8.1341 117.5508 59.6154 29.3462 179.2803 204 I 3.6807 7.7311 119.2865 64.4011 37.2447 178.0886 205 A 4.0760 7.8434 121.0610 55.3237 18.1447 179.4539 206 N 4.3140 8.6427 115.1636 56.3237 38.4780 177.5747 207 A 4.0950 8.2248 122.4769 55.1521 18.5158 179.7109 208 I 3.6722 8.2933 118.8504 64.5456 37.1948 178.5746 209 R 3.9301 8.2640 119.6517 59.3262 29.6462 178.4243 210 F 4.1944 8.1721 119.5956 61.1892 39.7069 176.8102 211 V 3.5154 8.1357 118.4284 66.1539 31.1494 177.8832 212 I 3.9577 7.5861 110.1031 62.8649 37.8154 176.2190 213 D 4.4695 7.8556 118.9475 54.7692 40.9581 176.5174 214 A 3.8624 7.2803 122.6825 51.9324 19.0034 177.8651 215 G 3.8550 8.3960 112.0913 45.3768 0.0000 175.1117 216 E 3.9988 8.6630 114.8418 58.6917 29.6090 175.0367 217 T 4.3792 7.7478 105.6033 62.3536 69.5889 174.2596 218 T 4.7401 7.5779 118.0512 62.0430 72.3427 172.9955 219 Q 4.3808 8.2761 122.8300 54.7874 32.0198 173.8222 220 I 4.3592 8.2883 126.2885 60.1904 38.3073 175.3277 221 T 4.4546 8.4107 115.7332 62.8507 70.5484 173.9612 222 N 6.0235 7.8659 118.4934 52.6686 42.4919 173.8221 223 V 4.4391 8.3204 123.5595 61.3861 34.7913 173.5802 224 D 5.2324 8.8215 128.0926 53.4319 42.4327 176.1789 225 V 4.5161 8.7678 122.4391 61.2814 34.7189 174.4783 226 R 5.0064 8.4573 124.7543 53.4107 34.6759 173.4423 227 P 4.3885 0.0000 0.0000 63.3179 31.3550 176.5144 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 4 K 8.17 4.53 0.00 1.45 1.83 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.39 7.81 5 I 9.55 4.97 2.03 0.00 0.00 1.00 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 1.17 1.11 0.00 0.00 6 A 9.38 5.35 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.83 4.88 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 0.97 0.00 0.00 0.90 0.00 0.00 8 V 8.86 4.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.90 0.00 0.00 9 T 8.66 4.69 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 1.20 0.00 0.00 10 G 8.69 3.64 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 0.00 0.00 0.00 11 A 8.43 4.08 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 12 T 7.79 4.40 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 1.32 0.00 0.00 13 G 7.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.48 3.64 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 0.00 0.00 0.00 15 M 8.17 4.13 0.00 2.07 2.14 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 2.70 2.63 0.00 16 G 8.06 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.89 3.69 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.87 0.00 0.00 18 E 7.97 3.99 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 2.50 2.48 0.00 19 I 7.85 3.69 1.99 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 1.40 0.98 0.89 0.00 0.00 20 V 7.97 3.51 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 1.08 0.00 0.00 0.98 0.00 0.00 21 K 7.78 3.90 0.00 1.93 1.86 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.62 7.81 22 D 8.21 4.44 0.00 2.79 2.76 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 23 L 8.68 4.09 0.00 1.63 1.56 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.95 4.69 0.00 4.00 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 25 R 7.78 4.18 0.00 1.94 2.05 0.00 3.12 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 26 D 8.02 4.82 0.00 2.72 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 27 H 7.89 5.23 0.00 3.17 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.62 4.31 1.92 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 1.08 0.65 0.79 0.00 0.00 29 V 8.24 4.71 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 0.90 0.00 0.00 0.91 0.00 0.00 30 Y 9.51 4.60 0.00 2.93 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 31 A 8.63 4.87 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 32 L 8.41 5.16 0.00 1.77 1.62 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.43 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 0.00 0.00 0.00 34 R 8.65 4.23 0.00 1.84 1.84 0.00 3.26 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.00 35 N 8.25 4.68 0.00 2.79 2.79 0.00 0.00 7.22 7.23 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 36 P 0.00 4.39 0.00 2.19 2.07 0.00 3.63 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 37 E 8.18 3.95 0.00 1.97 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 2.31 1.97 0.00 38 H 8.17 4.54 0.00 3.34 3.34 0.00 5.59 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 39 L 8.00 3.97 0.00 1.90 1.72 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.25 4.01 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 41 A 7.97 4.07 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 42 L 8.50 3.93 0.00 1.80 1.73 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.08 4.11 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 44 E 7.82 4.11 0.00 2.09 1.87 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 2.26 2.22 0.00 45 I 7.59 4.26 1.98 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 1.14 0.98 0.89 0.00 0.00 46 E 8.68 4.09 0.00 1.98 1.77 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 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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 1.53 1.19 0.92 0.00 0.00 56 V 7.84 3.61 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 1.06 0.00 0.00 0.93 0.00 0.00 57 K 8.06 3.91 0.00 1.84 1.82 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.37 7.81 58 E 8.25 4.34 0.00 2.02 2.18 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 2.57 2.48 0.00 59 V 7.76 3.56 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 0.83 0.00 0.00 0.93 0.00 0.00 60 L 8.13 4.31 0.00 1.72 1.70 0.93 0.82 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 61 E 8.06 4.21 0.00 2.00 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 2.24 2.15 0.00 62 E 8.24 4.53 0.00 2.07 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 2.23 2.41 0.00 63 G 7.66 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.84 3.97 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 1.39 0.00 0.00 143 I 7.21 2.47 1.50 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.34 0.00 0.00 144 Y 7.82 3.82 0.00 3.01 3.09 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 0.00 145 A 8.60 4.00 1.46 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 0.00 146 A 7.93 4.09 1.66 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 0.00 0.00 147 S 8.05 4.15 0.00 4.02 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 0.00 148 K 7.71 4.31 0.00 1.81 1.85 0.00 1.41 0.00 0.00 1.32 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.14 1.09 7.81 149 H 8.07 4.12 0.00 3.31 3.39 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.10 3.95 1.43 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 0.00 0.00 151 L 8.40 3.74 0.00 1.65 1.74 0.80 1.00 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 0.00 152 R 7.93 3.92 0.00 1.93 2.05 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 153 G 8.55 3.52 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 0.00 0.00 0.00 154 L 8.22 3.86 0.00 1.61 1.77 0.82 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.89 3.64 1.06 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 0.00 0.00 156 D 8.09 4.35 0.00 2.72 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 0.00 157 A 8.20 4.06 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 0.00 158 F 8.69 4.15 0.00 3.17 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 0.00 159 R 8.49 3.86 0.00 1.96 2.14 0.00 3.17 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 1.63 1.70 0.00 160 K 7.53 3.97 0.00 1.88 1.84 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 161 E 8.09 4.07 0.00 1.94 1.92 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 2.34 2.47 0.00 162 E 7.64 4.34 0.00 1.57 1.67 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 1.52 1.52 0.00 163 A 7.48 3.92 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 0.00 164 N 8.02 4.57 0.00 2.69 2.85 0.00 0.00 6.85 8.00 0.00 0.00 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 N 8.21 4.58 0.00 2.85 2.79 0.00 0.00 6.97 8.21 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 0.00 166 G 7.87 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 0.00 167 I 7.52 4.82 1.76 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 1.35 0.62 0.94 0.00 0.00 168 R 8.65 4.70 0.00 1.78 1.83 0.00 3.05 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 169 V 8.34 5.10 2.21 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 1.24 0.00 0.00 1.19 0.00 0.00 170 S 9.46 5.23 0.00 3.79 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 0.00 171 T 9.05 5.17 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 172 V 8.77 4.67 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 1.08 0.00 0.00 0.99 0.00 0.00 173 S 9.29 4.81 0.00 3.91 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 0.00 174 P 0.00 5.57 0.00 1.96 2.04 0.00 3.67 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 175 G 8.39 3.12 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 *199 I 7.18 3.85 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 1.42 0.60 0.92 0.00 0.00 200 E 8.81 3.90 0.00 1.99 1.92 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 2.41 2.31 0.00 201 P 0.00 4.32 0.00 2.14 2.16 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 202 K 8.02 4.14 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.10 7.81 203 E 8.13 4.21 0.00 2.15 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 2.32 2.48 0.00 204 I 7.73 3.68 2.03 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 1.74 0.84 0.93 0.00 0.00 205 A 7.84 4.08 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 0.00 206 N 8.64 4.31 0.00 2.91 2.90 0.00 0.00 6.90 6.88 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 0.00 207 A 8.22 4.09 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 0.00 208 I 8.29 3.67 1.89 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 1.41 0.93 0.91 0.00 0.00 209 R 8.26 3.93 0.00 2.20 2.21 0.00 3.39 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 210 F 8.17 4.19 0.00 3.07 3.36 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 0.00 211 V 8.14 3.52 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 0.98 0.00 0.00 1.06 0.00 0.00 212 I 7.59 3.96 1.88 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 1.70 0.71 0.94 0.00 0.00 213 D 7.86 4.47 0.00 2.77 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 0.00 214 A 7.28 3.86 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 0.00 215 G 8.40 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 0.00 216 E 8.66 4.00 0.00 2.00 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 2.23 1.87 0.00 217 T 7.75 4.38 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 218 T 7.58 4.74 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 0.00 219 Q 8.28 4.38 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 220 I 8.29 4.36 1.81 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 1.19 0.36 1.10 0.00 0.00 221 T 8.41 4.45 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 1.23 0.00 0.00 222 N 7.87 6.02 0.00 2.73 2.71 0.00 0.00 7.03 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 0.00 223 V 8.32 4.44 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 0.80 0.00 0.00 1.10 0.00 0.00 224 D 8.82 5.23 0.00 2.61 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 0.00 225 V 8.77 4.52 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 0.98 0.00 0.00 0.94 0.00 0.00 226 R 8.46 5.01 0.00 1.65 1.75 0.00 3.34 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 227 P 0.00 4.39 0.00 2.03 1.99 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.