NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3613 8.1749 117.3821 63.2181 69.7562 173.2759 3 I 4.0237 8.4878 128.2407 60.8786 37.6045 174.1756 4 K 4.8244 9.6046 125.7849 56.4500 35.2761 176.0251 5 A 5.0876 8.0120 121.1780 50.5615 22.7323 174.7817 6 L 5.1738 8.6377 121.8906 52.9659 44.0901 175.9846 7 F 5.1838 9.3770 122.4500 55.5606 41.2433 174.9863 8 W 4.8491 9.4916 123.7994 54.5983 31.8083 175.0015 9 D 4.8951 9.0376 124.5885 54.4638 41.2738 175.1333 10 I 4.3025 8.7174 122.9624 62.9659 38.7959 175.9149 11 G 3.7975 7.8603 109.2185 47.0710 0.0000 173.6804 12 G 4.0608 9.4450 113.0108 46.5930 0.0000 173.2603 13 V 4.3458 7.0050 115.8733 63.9227 34.1568 176.2472 14 L 4.2594 8.8229 119.2213 56.6372 42.3271 176.6547 15 L 5.1430 7.4335 116.3922 52.4630 46.5062 176.1809 16 T 4.4271 8.6437 111.2625 61.4922 69.5109 174.1548 17 N 4.4853 8.7345 119.5780 53.6726 38.7333 175.8557 18 G 3.9262 8.8951 110.6468 48.2123 0.0000 175.0603 19 W 5.2894 7.7545 129.3074 54.5696 30.9196 173.5826 20 D 4.7111 8.5159 119.0731 52.9441 44.2965 174.6364 21 R 3.7397 8.3926 116.7871 59.6436 30.0998 178.5276 22 E 3.9183 8.0152 118.3668 59.3387 29.7860 178.7392 23 Q 4.0752 7.9328 117.6290 59.1029 28.8870 178.7506 24 R 3.4594 7.8489 118.9479 58.8608 29.9678 178.9658 25 A 4.0783 8.0947 120.7016 55.3037 18.3804 179.4777 26 D 4.3095 8.0443 117.0885 57.5140 40.8974 179.2251 27 V 3.6123 7.9715 118.5457 65.7470 31.4766 177.8714 28 A 3.8634 8.5721 121.1233 55.3070 18.0382 179.6987 29 Q 3.9016 7.9868 116.0672 58.9558 28.5540 178.7284 30 R 3.6708 7.6453 118.8701 58.7583 30.1257 177.6551 31 F 4.6621 7.6943 114.0517 56.0210 39.3696 175.8358 32 G 3.9784 7.5856 106.5104 46.4600 0.0000 174.4019 33 L 4.1576 7.9156 119.0177 53.6412 42.5193 177.3640 34 D 4.4871 8.6229 121.6272 54.3736 42.0314 177.2374 35 T 4.0670 8.6291 118.7265 65.1125 68.8792 176.1333 36 D 4.3521 8.1539 121.2841 57.1189 40.9205 178.1338 37 D 4.2952 8.8046 118.8468 57.2111 41.2469 177.9723 38 F 4.4382 8.5127 121.2569 61.7607 39.3718 177.2766 39 T 3.5757 8.1194 115.3603 66.5061 68.3068 176.4072 40 E 3.8924 8.1689 121.2755 59.2999 29.6854 179.0842 41 R 3.8518 8.1481 118.3124 59.3188 30.0414 178.4612 42 H 4.0686 8.2293 118.1646 59.1891 29.6116 177.1394 43 R 3.8371 7.8375 119.3461 59.5616 29.9469 178.1807 44 L 4.0897 7.6704 117.0796 57.5123 41.4608 178.7250 45 A 4.3813 8.0390 119.7077 53.6756 19.0733 179.0836 46 A 4.0926 8.3490 120.3096 55.2555 18.3837 177.9773 47 P 4.4224 0.0000 0.0000 65.9621 31.3523 178.7142 48 E 4.0496 8.1708 116.7873 58.9161 29.4054 179.0397 49 L 3.9479 7.6379 120.0952 58.2330 41.9858 178.8051 50 E 4.0422 8.4548 117.7115 58.9840 29.7919 178.4239 51 L 4.5895 8.2303 117.1125 54.0244 41.7122 177.6617 52 G 3.9642 7.6492 106.3191 46.7446 0.0000 174.3822 53 R 4.5043 7.9811 117.2448 55.8962 30.8195 177.0759 *55 T 4.1726 7.6457 107.0875 61.3079 71.2284 173.1475 56 L 3.9387 8.3534 122.7761 58.2867 42.1058 179.1277 57 A 4.0373 7.9944 120.2523 55.2451 18.2731 179.2939 58 E 3.9725 8.4240 117.1427 59.6085 29.4867 178.9122 59 Y 4.1442 8.3729 119.6960 60.9466 38.8531 178.2976 60 L 4.0291 8.7093 120.2722 57.6850 41.4600 179.0695 61 E 4.0606 8.2137 118.7324 59.3969 29.6207 178.4880 62 Q 4.2104 7.7719 117.0449 58.0887 29.0867 177.7227 63 V 4.0214 7.7355 117.8099 63.6209 31.8653 176.3452 64 V 3.9336 7.4921 114.6072 64.1545 33.3023 176.5907 65 F 4.4424 7.9548 117.0785 57.6090 39.0478 176.2519 66 Y 4.4796 7.2849 118.3138 57.7387 38.7343 174.5254 67 Q 4.5321 6.8563 117.0475 53.5765 31.8876 172.5484 68 P 4.3019 0.0000 0.0000 62.8341 31.8455 176.3310 69 R 4.4636 7.9662 119.5710 54.5536 33.6091 174.3127 70 D 4.8797 8.1869 117.7262 53.5924 41.6870 175.6996 71 F 4.9058 7.2401 110.2917 55.0663 40.5639 173.1133 72 T 4.5176 8.7991 111.9015 59.4403 72.0795 173.7159 73 P 4.3379 0.0000 0.0000 65.7428 31.2038 178.9197 74 E 4.0000 8.0775 117.1420 59.3289 29.5393 178.7162 75 D 4.4760 8.3950 119.0793 57.4169 40.7092 178.7591 76 F 3.8164 8.1361 119.9525 61.2055 39.5252 176.7782 77 R 3.9910 8.2712 117.1802 59.4445 30.1468 178.0230 78 A 4.0508 8.0572 120.5773 54.7883 17.9758 180.2036 79 V 3.6812 7.4845 115.7890 63.3224 31.7577 177.8669 *81 E 3.8151 8.2148 118.2310 55.8317 31.0979 178.1673 82 E 4.1542 7.6913 116.6605 58.8731 29.6036 178.3502 83 Q 4.1998 7.4326 117.0889 58.2534 29.0501 176.9803 84 S 4.4246 7.8521 114.7011 58.4675 63.5097 173.2780 85 Q 4.7804 8.5724 122.1807 53.9001 32.4285 172.3530 86 P 4.3880 0.0000 0.0000 62.5939 33.0786 176.5691 87 R 4.3780 8.3076 120.6711 53.9543 29.6623 175.1796 88 P 4.1851 0.0000 0.0000 65.5392 31.6566 177.8909 89 E 3.9735 8.0857 116.8652 59.0326 29.3610 179.3895 90 V 3.6474 7.6664 118.0587 65.7424 31.6820 177.7185 91 L 3.6718 8.0944 118.8379 57.8751 41.4891 179.4212 92 A 3.8226 8.0229 120.5052 54.9571 18.2342 179.4823 93 L 3.8145 7.7013 118.1083 58.1665 42.2269 179.0828 94 A 3.5564 7.7830 120.8943 55.0710 17.8949 179.8697 95 R 3.3382 7.1671 115.5811 58.8855 30.2620 178.6465 96 D 4.3942 7.7473 117.9223 57.5043 41.2888 178.4420 97 L 4.3227 8.1374 119.5114 57.5172 41.3945 179.3882 98 G 3.7950 7.9581 104.3811 46.8455 0.0000 175.0054 99 Q 4.2648 7.9944 119.2991 57.4342 29.0062 176.5451 100 R 4.5065 8.2540 116.3124 55.5814 32.4537 175.0130 101 Y 4.7846 7.5471 114.7472 55.9008 42.1373 174.8341 102 R 4.2752 8.3251 121.2418 56.3358 31.9758 175.1077 *104 Y 4.4770 8.2193 117.3775 57.8398 39.9357 174.8232 105 S 5.0569 8.0628 116.2087 58.0646 65.1482 173.5113 106 L 5.0009 9.2210 123.9969 54.3016 44.1953 174.2189 107 N 5.0727 9.1940 122.3957 51.6446 41.3618 173.1333 108 N 5.1310 8.4999 117.9222 52.2279 39.6347 174.0280 109 E 4.7522 8.8746 122.5267 55.0639 33.9782 175.4566 110 G 3.9273 8.5538 114.4937 45.3068 0.0000 174.4897 111 R 3.8612 8.6872 120.9489 59.3873 30.1464 178.6977 112 D 4.3292 7.9720 118.0000 57.4792 40.8629 178.5235 113 L 4.0098 7.7934 120.2477 57.8767 42.0413 178.1856 114 N 4.2981 8.2501 117.1379 56.9516 38.9339 176.8001 115 E 3.8342 8.3034 119.8850 59.2525 29.4401 178.6688 116 Y 3.9363 8.0922 119.7174 60.7456 38.8708 178.4534 117 R 4.1164 8.4265 119.1819 59.3434 30.1980 179.0943 118 I 3.5598 7.9045 119.9076 64.2429 36.4958 178.5860 119 R 3.6811 7.7098 119.3916 59.7199 29.7569 178.5994 120 T 3.4238 7.4894 114.5097 65.6109 68.2874 175.6702 121 F 4.7805 7.5297 116.2847 55.9742 39.8356 175.7121 122 G 3.9593 7.8133 106.2644 46.4982 0.0000 176.5504 123 L 3.4957 7.8950 122.0797 56.9358 41.2276 179.7922 124 G 3.8530 7.8737 106.4775 47.2095 0.0000 175.2743 125 E 4.1399 7.8683 119.7722 58.3498 29.5477 177.5671 126 F 4.8394 6.7378 107.1242 55.6108 39.3935 174.6555 127 L 4.3097 6.9655 121.8221 52.8841 42.9797 176.5383 128 L 4.0406 7.7279 122.3125 56.5260 42.3869 176.2090 129 A 4.4773 6.7260 117.9351 50.9802 22.7096 175.4328 130 F 4.8276 8.4539 117.4270 54.8070 41.2681 175.5132 131 F 5.0066 8.6910 125.4169 56.5574 37.8020 174.4211 132 T 5.1611 8.0142 118.7048 61.5125 70.7887 175.7064 133 S 4.9358 9.3410 120.2495 60.9651 62.8033 176.9192 134 S 4.1461 7.8069 115.1057 59.8417 63.2389 175.7691 135 A 4.2411 8.0271 123.7032 53.6321 19.0610 178.0125 136 L 4.3420 7.9581 114.1741 54.3970 42.7818 178.3042 137 G 4.0390 8.6507 106.2372 44.6449 0.0000 173.1579 138 V 4.3637 6.9361 112.6226 59.4283 35.4237 174.4414 *140 K 4.2108 8.3260 118.3923 56.5466 32.7697 173.7807 141 P 4.9544 0.0000 0.0000 62.5902 31.5352 175.2614 142 N 4.3098 8.1490 117.4721 53.9105 39.1885 172.7827 143 P 4.5462 0.0000 0.0000 65.8784 31.7357 179.0031 144 A 4.3020 8.3914 121.3995 52.2691 17.7829 179.1017 *146 Y 4.3476 8.1165 118.3897 59.7261 40.1161 178.2152 147 R 3.8840 8.1450 118.7262 59.0266 29.9190 178.9456 148 L 3.9189 8.1589 120.5778 57.9431 42.0761 179.1455 149 G 3.1217 7.7398 105.1515 47.7379 0.0000 175.4516 150 L 3.9790 7.6035 121.4098 57.7565 41.3552 179.8121 151 T 3.8639 7.5442 114.9054 66.4575 68.4178 176.6033 152 L 4.0220 7.7206 120.2368 57.5283 41.7319 178.9340 153 A 3.9778 7.8785 118.9360 52.1382 19.6351 177.0133 154 Q 3.4546 7.7097 115.5662 57.3223 26.5446 173.8977 155 V 4.6116 7.1800 108.4998 59.2607 36.0855 176.7416 156 R 4.1929 8.6868 121.4422 55.3901 31.0789 175.9005 157 P 4.2012 0.0000 0.0000 65.8745 31.3463 178.3498 158 E 4.1092 8.1033 112.7857 57.8870 29.9757 176.8486 159 E 4.6358 8.5083 119.2070 56.1968 30.0871 175.1466 160 A 5.4157 7.9604 121.6870 50.3355 22.2085 175.7869 161 V 5.2378 8.0986 119.5761 60.0854 35.7775 173.6875 *163 V 4.2102 8.1666 118.7612 63.0578 32.5662 174.6122 164 D 5.3532 8.5965 126.3091 52.9178 44.7983 175.4981 165 D 4.9052 8.8527 120.5415 53.6162 40.4298 175.9375 166 R 4.6253 8.4145 121.1839 54.1798 32.3521 176.2961 167 L 3.9266 8.5803 125.4270 58.4868 42.0961 178.8100 168 Q 3.9425 8.0607 118.8087 59.2779 29.0112 177.9622 169 N 4.4840 8.0995 117.1438 56.1367 38.7062 177.3916 170 V 3.5220 7.7811 119.7284 66.1941 31.6358 178.2101 171 Q 3.9312 8.3694 117.8169 58.7340 28.2779 178.5146 172 A 3.8562 7.7502 120.9714 54.8299 18.7498 179.2283 173 A 3.1571 7.3510 119.2057 55.1383 18.4251 180.1545 174 R 3.7739 7.7821 116.3134 59.1840 29.8492 179.1514 175 A 3.9993 7.6409 119.7027 54.3412 18.4163 179.0142 176 V 4.0300 7.0583 108.3437 60.6291 33.4116 176.7431 177 G 3.9368 7.4676 108.0759 46.2579 0.0000 172.6919 *179 H 4.6291 7.7344 117.1105 56.3004 31.1436 173.1541 180 A 4.8070 8.1399 119.8956 50.9614 22.3966 175.8616 181 V 4.3268 8.0658 119.3753 60.9679 35.1879 174.0827 182 Q 4.6941 8.6645 129.1964 55.6325 29.8713 174.4947 183 C 4.2621 9.2408 128.7204 59.4420 31.9932 173.3054 184 V 4.0780 9.2774 126.3720 64.1280 32.4203 175.6715 185 D 4.8034 7.7494 116.9620 50.6751 43.5929 175.6056 186 A 4.0018 8.5807 121.1066 55.3194 18.3361 179.8074 187 A 3.9189 7.9999 118.7784 55.2907 18.5483 179.4971 188 Q 3.8895 8.9327 118.5736 59.1524 29.0867 178.2043 189 L 3.9133 8.2917 121.8085 58.1677 42.1572 178.9024 190 R 3.8830 8.2525 118.8981 59.3293 30.0073 178.1611 191 E 3.9169 8.1766 119.1629 59.4071 29.4739 178.7137 192 E 4.0147 8.1275 117.5095 59.2611 29.7498 179.0282 193 L 4.0463 8.1733 119.1606 57.6161 41.6656 179.3439 194 A 4.2340 8.2454 121.9390 54.3831 18.0869 179.2555 195 A 4.1144 7.6754 117.5435 53.9837 18.5374 178.5720 196 L 4.4522 7.8256 115.8059 54.1554 42.4108 177.3272 197 G 3.8609 8.0470 107.8828 44.9958 0.0000 173.6086 198 V 4.6378 7.3492 119.6606 60.9133 31.7632 176.0166 199 R 4.2770 8.5891 125.5455 56.5709 31.0630 175.1092 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 T 8.17 4.36 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 1.27 0.00 0.00 3 I 8.49 4.02 1.97 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 1.51 0.04 1.01 0.00 0.00 4 K 9.60 4.82 0.00 1.68 1.93 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 5 A 8.01 5.09 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 6 L 8.64 5.17 0.00 1.67 1.43 0.64 0.47 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 7 F 9.38 5.18 0.00 2.90 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 8 W 9.49 4.85 0.00 3.24 3.20 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 9 D 9.04 4.90 0.00 3.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.72 4.30 2.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 1.00 0.00 0.00 11 G 7.86 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 0.00 0.00 0.00 12 G 9.44 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 0.00 0.00 0.00 13 V 7.01 4.35 2.43 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 1.24 0.00 0.00 1.08 0.00 0.00 14 L 8.82 4.26 0.00 1.82 1.74 1.03 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.43 5.14 0.00 1.50 1.47 0.92 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 0.00 0.00 0.00 0.00 16 T 8.64 4.43 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 1.25 0.00 0.00 17 N 8.73 4.49 0.00 2.80 2.87 0.00 0.00 6.90 7.65 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 18 G 8.90 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 0.00 0.00 0.00 19 W 7.75 5.29 0.00 3.23 3.03 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 20 D 8.52 4.71 0.00 2.77 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 21 R 8.39 3.74 0.00 1.84 1.92 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 22 E 8.02 3.92 0.00 2.02 1.94 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 2.39 2.40 0.00 23 Q 7.93 4.08 0.00 2.38 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.85 2.62 0.00 24 R 7.85 3.46 0.00 1.45 1.58 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 25 A 8.09 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 26 D 8.04 4.31 0.00 2.93 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 27 V 7.97 3.61 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.19 0.00 0.00 28 A 8.57 3.86 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.99 3.90 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 30 R 7.65 3.67 0.00 1.52 1.76 0.00 2.95 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.52 0.00 31 F 7.69 4.66 0.00 2.90 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 32 G 7.59 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 33 L 7.92 4.16 0.00 1.47 1.49 0.28 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.62 4.49 0.00 2.77 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 35 T 8.63 4.07 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 36 D 8.15 4.35 0.00 2.90 2.77 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 37 D 8.80 4.30 0.00 2.96 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 38 F 8.51 4.44 0.00 3.13 3.20 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 39 T 8.12 3.58 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 1.13 0.00 0.00 40 E 8.17 3.89 0.00 2.14 1.90 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 0.87 0.45 0.30 0.00 0.00 119 R 7.71 3.68 0.00 1.73 1.76 0.00 2.99 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 120 T 7.49 3.42 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 0.19 0.00 0.00 121 F 7.53 4.78 0.00 3.18 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 0.00 122 G 7.81 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.90 3.50 0.00 1.76 1.64 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.87 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 0.00 0.00 0.00 125 E 7.87 4.14 0.00 2.46 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 2.34 2.12 0.00 126 F 6.74 4.84 0.00 2.98 3.03 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 0.00 127 L 6.97 4.31 0.00 0.92 0.74 0.66 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.73 4.04 0.00 1.09 1.56 0.65 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 129 A 6.73 4.48 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 0.00 130 F 8.45 4.83 0.00 2.81 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 0.00 131 F 8.69 5.01 0.00 3.26 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 0.00 132 T 8.01 5.16 4.34 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 1.42 0.00 0.00 133 S 9.34 4.94 0.00 4.01 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 7.81 4.15 0.00 4.20 4.35 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 0.00 135 A 8.03 4.24 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.96 4.34 0.00 1.74 1.72 1.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.65 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 0.00 138 V 6.94 4.36 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 0.77 0.00 0.00 0.89 0.00 0.00 *140 K 8.33 4.21 0.00 1.78 2.04 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 1.30 7.81 141 P 0.00 4.95 0.00 2.26 2.38 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 142 N 8.15 4.31 0.00 2.71 2.77 0.00 0.00 7.14 7.69 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 0.00 143 P 0.00 4.55 0.00 2.24 2.13 0.00 3.69 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 2.14 2.13 0.00 144 A 8.39 4.30 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 *146 Y 8.12 4.35 0.00 3.15 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 0.00 147 R 8.14 3.88 0.00 1.81 1.93 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 148 L 8.16 3.92 0.00 1.77 1.55 0.82 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.74 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 0.00 150 L 7.60 3.98 0.00 1.78 1.81 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 151 T 7.54 3.86 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 1.15 0.00 0.00 152 L 7.72 4.02 0.00 0.73 1.50 0.61 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.88 3.98 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 0.00 154 Q 7.71 3.45 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 155 V 7.18 4.61 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 0.89 0.00 0.00 1.15 0.00 0.00 156 R 8.69 4.19 0.00 1.87 1.98 0.00 3.32 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 157 P 0.00 4.20 0.00 2.18 2.17 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 158 E 8.10 4.11 0.00 2.09 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 2.31 2.30 0.00 159 E 8.51 4.64 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 160 A 7.96 5.42 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.10 5.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.89 0.00 0.00 *163 V 8.17 4.21 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 0.60 0.00 0.00 0.05 0.00 0.00 164 D 8.60 5.35 0.00 2.81 2.46 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 0.00 165 D 8.85 4.91 0.00 2.94 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 0.00 166 R 8.41 4.63 0.00 1.97 1.89 0.00 3.19 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 167 L 8.58 3.93 0.00 1.75 1.68 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.06 3.94 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 169 N 8.10 4.48 0.00 3.13 3.01 0.00 0.00 6.78 7.68 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 0.00 170 V 7.78 3.52 2.19 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 0.98 0.00 0.00 0.97 0.00 0.00 171 Q 8.37 3.93 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 172 A 7.75 3.86 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.35 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 R 7.78 3.77 0.00 1.93 1.90 0.00 3.07 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 175 A 7.64 4.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.06 4.03 2.03 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 0.74 0.00 0.00 0.87 0.00 0.00 177 G 7.47 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *179 H 7.73 4.63 0.00 3.23 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 A 8.14 4.81 1.09 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 0.00 0.00 181 V 8.07 4.33 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 0.99 0.00 0.00 0.86 0.00 0.00 182 Q 8.66 4.69 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 183 C 9.24 4.26 0.00 3.01 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 0.00 184 V 9.28 4.08 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 0.87 0.00 0.00 0.93 0.00 0.00 185 D 7.75 4.80 0.00 2.94 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 0.00 186 A 8.58 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 0.00 187 A 8.00 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 0.00 188 Q 8.93 3.89 0.00 2.05 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 189 L 8.29 3.91 0.00 1.88 1.85 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 190 R 8.25 3.88 0.00 2.01 2.04 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 191 E 8.18 3.92 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 192 E 8.13 4.01 0.00 1.95 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 2.33 2.52 0.00 193 L 8.17 4.05 0.00 1.85 1.74 0.84 0.34 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 0.00 194 A 8.25 4.23 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 0.00 195 A 7.68 4.11 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 L 7.83 4.45 0.00 1.72 1.60 0.86 0.76 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 0.00 197 G 8.05 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 0.00 198 V 7.35 4.64 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 0.55 0.00 0.00 0.71 0.00 0.00 199 R 8.59 4.28 0.00 1.85 1.78 0.00 3.33 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.