NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2235 8.3049 118.1418 54.9799 32.5718 174.1909 2 F 4.9237 8.9628 117.6756 53.5319 42.5973 173.6649 3 D 5.0304 9.3864 125.9269 51.3597 43.6234 176.6843 4 A 3.8946 8.5897 120.9520 55.5734 18.0253 179.9894 5 F 4.0367 8.0440 115.5878 61.0281 39.2496 178.0928 6 T 4.0627 8.8009 109.2726 64.1719 68.0714 176.4247 7 K 3.2206 8.1548 123.2507 59.3304 32.2313 178.9458 8 V 3.7845 7.1870 119.6581 65.2083 31.3650 178.1787 9 V 3.5628 7.8540 118.3298 66.0492 31.5439 178.1917 10 S 4.0833 8.1424 114.2999 61.6126 62.8383 176.4954 11 Q 3.9369 7.6687 120.8776 58.4948 28.3073 178.5131 12 A 4.0796 7.9130 122.0492 55.0759 18.3255 179.1525 13 D 4.2451 8.3223 116.7494 57.8283 41.0584 178.5645 14 T 3.8510 7.6121 114.9022 66.2564 68.5313 175.8335 15 R 4.3638 7.4808 116.0769 55.0951 30.6961 176.4739 16 G 3.9810 8.1713 107.0743 46.7601 0.0000 173.3873 17 E 4.7782 8.2033 116.9963 54.1830 33.0511 175.9020 18 M 4.4360 8.2471 119.9862 53.9794 33.3038 176.6206 19 L 4.0321 8.3456 122.0534 55.0262 42.5169 178.1407 20 S 4.4399 8.3908 117.5004 58.1555 65.2795 175.6877 21 T 3.8255 8.3366 118.3379 66.7451 68.1995 176.7264 22 A 3.9990 7.9802 122.2061 55.1523 18.4820 179.3194 23 Q 3.8774 7.9531 117.4897 59.4969 29.2474 178.4615 24 I 3.7604 7.7351 120.8009 64.6055 37.0835 178.1869 25 D 4.3839 8.3565 119.5236 57.1118 40.6058 178.6789 26 A 3.9792 7.7721 121.0241 55.2164 18.4276 179.7479 27 L 3.9322 7.8980 117.2364 57.8855 41.6284 179.9880 28 S 4.2090 7.9936 115.3596 61.5040 62.5152 176.4292 29 Q 3.9755 7.8438 121.6287 59.2978 29.0374 177.5408 30 M 4.1198 8.1602 119.3766 58.5268 32.2982 178.4170 31 V 3.6481 7.8669 118.3932 65.7933 31.5106 177.7935 32 A 4.1949 7.9882 119.3498 53.9167 17.8718 177.7890 33 E 4.6063 7.5883 115.7448 56.0101 30.4547 178.0616 34 S 4.1584 7.9370 117.5650 61.4724 62.7395 176.1718 35 N 4.2994 8.1624 119.6355 56.1949 38.3587 177.0179 36 K 3.9145 7.6683 118.7857 59.5470 32.2323 179.1010 37 R 3.9215 8.0153 118.2286 59.7478 29.9739 178.4037 38 L 4.1566 8.1220 118.3532 57.5747 41.5617 179.2500 39 D 4.3747 8.2508 119.1115 57.0805 40.6656 178.4529 40 A 4.0152 8.1430 121.3373 55.1429 18.3413 179.7764 41 V 3.5829 7.7768 116.5660 66.1783 31.5980 177.5028 42 N 4.2978 8.2984 116.6790 56.9560 38.5587 176.9132 43 R 3.9465 8.2368 118.0988 59.3267 30.4767 178.9440 44 I 3.9184 8.0363 119.6269 64.7050 37.1795 178.5525 45 T 3.8547 8.1481 116.7473 66.9322 68.1421 176.8461 46 S 4.3215 8.3721 115.5285 60.4778 62.9293 174.9132 47 N 4.9575 7.8164 118.1157 52.6736 39.4977 176.0686 48 A 4.0052 8.1859 123.1781 55.6854 18.3381 180.7802 49 S 4.0938 8.0463 113.0934 62.0623 62.9624 177.0109 50 T 4.0547 7.7447 113.2389 64.0954 68.5461 176.6668 51 I 3.6687 7.9585 122.8292 64.0985 37.0226 178.5249 52 V 3.5759 7.9457 119.2585 65.9951 31.3494 178.2010 53 S 4.1092 8.1282 113.9305 61.6818 62.9211 176.1336 54 N 4.3821 8.3552 120.1642 55.6695 38.1511 177.3602 55 A 3.8460 7.7843 121.9708 54.9630 18.4409 179.3507 56 A 3.3550 7.9994 119.5643 55.2801 18.4507 179.7519 57 R 3.8742 8.1445 117.4182 59.6920 30.0862 178.6539 58 S 4.0504 7.8719 112.6872 61.1319 62.3024 175.8872 59 L 3.8330 7.8440 123.4062 58.2592 41.6105 179.0721 60 F 4.5493 7.6748 116.4733 60.4114 38.8494 177.2788 61 A 4.2008 7.9515 120.0779 55.1181 18.2403 179.1436 62 E 4.2509 8.0194 116.2384 57.7415 31.2023 177.3026 63 Q 5.0112 8.5630 117.6550 51.8597 29.1435 174.0898 64 P 4.4555 0.0000 0.0000 65.1237 32.2842 179.6503 65 Q 4.0845 8.0964 117.0235 58.7096 28.7818 178.4746 66 L 4.1318 8.0134 118.9932 56.9795 41.6893 177.8511 67 I 4.0876 7.5009 109.0796 60.7813 38.8270 175.8736 68 A 4.0439 7.7211 125.1153 51.0686 18.7846 174.9611 69 P 2.9700 0.0000 0.0000 64.0531 31.6130 176.6021 70 G 4.1077 8.3674 111.2378 45.4990 0.0000 175.7099 71 G 4.2474 8.2680 109.3014 44.6356 0.0000 175.0299 *75 A 4.0464 8.6389 128.0587 51.2762 19.7569 176.1799 76 Y 4.2503 7.7171 118.8465 58.9604 39.7223 175.2074 77 T 3.0461 7.2579 113.9231 62.0714 69.1582 172.7335 78 S 3.9832 8.4549 119.6712 61.8203 62.8416 176.9609 79 R 3.8320 7.8279 120.5751 59.6825 29.8468 178.6538 80 R 3.9188 7.6354 117.8300 59.2067 29.9606 178.6267 81 M 3.9119 8.1712 117.9484 58.6565 32.1713 177.9260 82 A 3.9763 8.3402 120.9597 55.3584 18.5189 179.4173 83 A 3.9561 8.1480 119.0818 55.3926 18.5335 179.4521 84 C 4.1280 8.2476 117.2264 62.7220 31.7102 175.8520 85 L 4.0892 8.2520 120.7698 57.6915 41.1585 179.4407 86 R 3.9143 8.3724 119.0368 59.5945 29.9614 178.2925 87 D 4.4745 8.3564 118.6815 57.5549 40.7273 178.5853 88 M 4.0727 7.9667 118.7001 58.5629 31.9840 178.3869 89 E 3.9107 8.2043 119.2078 59.2798 29.6933 178.8786 90 I 3.6446 8.1525 120.1561 64.4635 37.2594 178.4054 91 I 3.7532 8.1035 120.8789 64.3042 36.9601 178.1052 92 L 3.9427 8.1255 121.2743 58.1608 41.9702 178.7926 93 R 3.4651 8.0685 118.7722 59.8091 30.0116 178.1321 94 Y 3.6062 7.6814 116.2468 60.7615 37.8745 178.8755 95 V 3.4324 7.6577 119.6803 65.9193 31.5337 178.1395 96 T 4.0409 7.6730 109.4664 64.5132 68.5891 176.4887 97 Y 4.3126 7.6261 119.7185 61.0538 37.8272 178.1033 98 A 4.0726 7.8696 122.9750 54.5166 18.0922 179.9081 99 V 3.7974 7.4870 115.6755 66.0084 31.6925 177.8142 100 F 4.2278 8.2141 119.4005 61.3258 39.5770 176.7163 101 A 4.3488 8.8159 120.0389 52.3988 18.1550 177.9464 102 G 4.0904 8.8435 105.1841 45.5648 0.0000 173.1969 103 D 4.6038 7.6372 115.9012 51.8490 44.2329 175.3816 104 A 4.0663 8.7399 126.9028 52.8734 18.6223 179.4223 105 S 4.1363 8.3565 114.5406 61.4780 62.8691 177.1252 106 V 3.5765 7.7260 122.2056 64.2955 31.1869 177.9993 107 L 3.8183 7.7591 120.4840 57.8064 42.1105 178.4504 108 E 3.8879 8.4306 118.7975 59.6503 29.2494 179.2763 109 D 4.2704 8.0487 117.3852 57.0448 41.0937 178.3018 110 R 4.2770 7.4392 114.7400 56.1917 30.5137 175.6953 111 C 4.2766 7.1950 116.4665 60.7304 33.7006 175.0269 112 L 3.9994 7.8851 119.2209 56.9415 41.5728 176.7219 113 N 4.3906 7.8729 117.8784 54.9383 38.9084 175.0200 114 G 4.4076 8.8941 114.2925 45.4794 0.0000 174.3548 115 L 3.6780 7.6519 121.6971 57.7965 41.9792 178.7379 116 R 3.9631 7.8313 118.3540 59.5171 30.0822 178.2533 117 E 4.0368 8.0491 117.9061 59.4150 29.6061 179.2957 118 T 3.8158 7.6306 115.8508 66.9034 68.4632 176.3686 119 Y 4.4939 7.8372 118.6403 60.8660 37.6214 178.1223 120 L 3.9721 7.9765 120.2897 58.3855 42.2958 178.7973 121 A 4.1506 7.8546 119.1066 54.9078 18.3483 179.0826 122 L 4.2766 7.8422 116.2200 55.5770 41.9746 178.2311 123 G 3.9914 8.2435 106.1051 45.2777 0.0000 173.3110 124 T 3.9366 7.5701 116.8317 62.1414 69.0258 173.0756 125 P 4.4765 0.0000 0.0000 62.3978 31.9084 177.2961 126 G 4.0835 8.9112 112.9406 47.1008 0.0000 174.2925 127 S 4.1592 8.0218 116.0842 61.5521 63.0082 176.7145 128 S 4.1199 7.9469 118.2923 61.1472 62.5539 176.5916 129 V 3.5076 7.4954 120.4905 65.8890 31.2949 177.7806 130 A 4.0219 8.3039 120.8780 55.2544 18.1947 179.6809 131 V 3.6082 7.9540 116.7006 66.1625 31.7247 178.4754 132 G 3.5379 8.0367 105.3995 47.7980 0.0000 175.8348 133 V 3.8053 8.3066 121.3166 65.7026 31.6517 178.3295 134 G 3.5849 8.6282 105.8973 47.8057 0.0000 175.8271 135 K 4.0015 8.0237 120.6279 59.3562 32.0313 179.4467 136 M 4.0075 7.7924 118.8279 57.9406 31.8695 178.3586 137 K 2.0000 7.7082 119.9876 58.8078 32.3796 178.0397 138 E 3.7505 7.8030 118.8511 59.4832 29.5971 178.9556 139 A 3.9306 7.7492 119.8483 54.9874 18.4293 179.5092 140 A 3.9528 8.3294 119.6481 55.3802 18.4289 179.8791 141 L 3.9698 8.3475 117.6509 57.8480 41.4021 179.7009 142 A 3.9766 7.8995 120.4754 55.1627 18.0781 179.7919 143 I 3.7101 7.3850 117.1313 64.2103 37.1813 178.6257 144 V 3.7786 7.6289 118.6252 66.0160 31.5968 177.3966 145 N 4.7224 8.2099 113.3806 53.1231 38.5836 174.6914 146 D 4.3552 7.3156 121.3521 53.7846 41.2804 174.4397 147 P 4.3607 0.0000 0.0000 64.4782 31.8926 176.7100 148 A 4.0261 8.1190 122.7753 53.1823 18.8307 177.0858 149 G 4.0096 8.6970 109.8893 45.7782 0.0000 173.1165 150 I 4.4363 7.3492 115.6257 59.2862 41.0009 173.8106 151 T 3.9696 8.4072 122.7068 62.6160 68.5402 172.8017 152 P 4.2370 0.0000 0.0000 63.1040 31.6216 175.7193 153 G 3.8049 7.9498 108.7661 45.6983 0.0000 171.5468 154 D 4.6742 8.7020 119.1386 53.2909 41.3129 175.2954 155 C 4.8043 8.4033 123.9406 59.5545 29.1246 176.1288 156 S 4.0961 8.2693 118.3079 61.5204 62.3051 176.2233 157 A 3.9294 7.9042 123.8181 54.7342 18.2654 179.1125 158 L 3.8312 7.8959 118.0752 58.3164 42.2325 178.7148 159 A 4.0462 8.2997 121.0362 55.3249 18.2905 179.5282 160 S 3.9869 8.1223 111.5140 61.3471 62.5150 176.0070 161 E 3.6439 7.9529 121.9020 59.2276 29.4283 178.7215 162 I 3.8179 8.1358 119.9000 64.5497 37.2354 178.2296 163 A 4.2498 8.6906 121.9834 55.2970 18.1669 179.8223 164 S 4.1452 8.0068 112.6244 61.4810 63.1245 176.5019 165 Y 4.3698 7.5213 120.6524 61.0582 37.6507 177.8945 166 F 4.1933 8.2324 118.2480 60.8308 39.0495 177.3531 167 D 4.5125 8.4163 118.4502 57.1338 40.5436 179.0781 168 R 3.9378 7.9134 118.1777 59.2305 30.2821 178.8001 169 A 4.0475 7.9232 120.0250 55.4150 18.3718 179.4599 170 C 4.2312 8.2416 114.9417 63.0859 28.0479 176.3398 171 A 4.0720 8.0845 120.7412 54.9294 18.0031 179.2112 172 A 4.1419 8.0474 118.2990 54.1434 18.8648 178.9809 173 V 4.4146 7.3313 107.7052 61.2475 33.0852 176.0743 174 S 4.4778 8.0428 119.8276 58.7593 62.8986 173.6375 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 1 M 8.30 4.22 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 2 F 8.96 4.92 0.00 3.24 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 3 D 9.39 5.03 0.00 3.15 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.59 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.04 4.04 0.00 3.25 3.07 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 6 T 8.80 4.06 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 7 K 8.15 3.22 0.00 1.96 1.92 0.00 1.11 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.36 7.81 8 V 7.19 3.78 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 1.05 0.00 0.00 0.95 0.00 0.00 9 V 7.85 3.56 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 1.09 0.00 0.00 1.02 0.00 0.00 10 S 8.14 4.08 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.67 3.94 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 12 A 7.91 4.08 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 13 D 8.32 4.25 0.00 2.80 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 14 T 7.61 3.85 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 15 R 7.48 4.36 0.00 1.93 1.96 0.00 3.30 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 16 G 8.17 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 17 E 8.20 4.78 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 18 M 8.25 4.44 0.00 2.00 1.98 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 2.57 2.55 0.00 19 L 8.35 4.03 0.00 1.64 1.62 0.95 0.89 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 20 S 8.39 4.44 0.00 4.04 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 21 T 8.34 3.83 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 22 A 7.98 4.00 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 23 Q 7.95 3.88 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 24 I 7.74 3.76 2.03 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 1.55 0.95 0.93 0.00 0.00 25 D 8.36 4.38 0.00 2.87 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 26 A 7.77 3.98 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 27 L 7.90 3.93 0.00 1.95 1.81 1.01 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 28 S 7.99 4.21 0.00 4.11 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 29 Q 7.84 3.98 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 30 M 8.16 4.12 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 31 V 7.87 3.65 2.33 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 1.01 0.00 0.00 1.16 0.00 0.00 32 A 7.99 4.19 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 33 E 7.59 4.61 0.00 1.98 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 2.21 2.36 0.00 34 S 7.94 4.16 0.00 4.05 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 35 N 8.16 4.30 0.00 2.79 2.92 0.00 0.00 7.16 7.52 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 36 K 7.67 3.91 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 37 R 8.02 3.92 0.00 1.86 2.13 0.00 3.08 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 38 L 8.12 4.16 0.00 1.87 1.75 0.90 0.88 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 39 D 8.25 4.37 0.00 2.90 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 40 A 8.14 4.02 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 41 V 7.78 3.58 2.37 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 1.22 0.00 0.00 1.17 0.00 0.00 42 N 8.30 4.30 0.00 2.98 3.02 0.00 0.00 7.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.24 3.95 0.00 2.01 2.01 0.00 3.25 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 44 I 8.04 3.92 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.92 1.01 0.00 0.00 45 T 8.15 3.85 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 1.21 0.00 0.00 46 S 8.37 4.32 0.00 4.00 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 47 N 7.82 4.96 0.00 2.82 2.76 0.00 0.00 6.68 7.13 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 48 A 8.19 4.01 1.37 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 57 R 8.14 3.87 0.00 1.95 1.97 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 58 S 7.87 4.05 0.00 3.96 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 59 L 7.84 3.83 0.00 1.56 1.31 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.67 4.55 0.00 3.08 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 61 A 7.95 4.20 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 62 E 8.02 4.25 0.00 2.11 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 2.34 2.55 0.00 63 Q 8.56 5.01 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 64 P 0.00 4.46 0.00 2.22 2.34 0.00 3.79 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 2.08 1.97 0.00 65 Q 8.10 4.08 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 66 L 8.01 4.13 0.00 1.91 1.85 1.09 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.50 4.09 1.75 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 1.38 0.63 0.31 0.00 0.00 68 A 7.72 4.04 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 69 P 0.00 2.97 0.00 1.72 1.42 0.00 3.47 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 70 G 8.37 4.11 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 0.00 0.00 0.00 71 G 8.27 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 0.00 0.00 0.00 0.00 *75 A 8.64 4.05 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 76 Y 7.72 4.25 0.00 3.03 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 77 T 7.26 3.05 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 0.72 0.00 0.00 78 S 8.45 3.98 0.00 3.80 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 79 R 7.83 3.83 0.00 1.83 1.87 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 80 R 7.64 3.92 0.00 2.00 1.95 0.00 3.20 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 1.60 0.00 81 M 8.17 3.91 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 82 A 8.34 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.15 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.25 4.13 0.00 3.14 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 85 L 8.25 4.09 0.00 1.90 1.75 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.37 3.91 0.00 1.98 2.21 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 87 D 8.36 4.47 0.00 3.08 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 88 M 7.97 4.07 0.00 2.08 2.32 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 2.61 2.92 0.00 89 E 8.20 3.91 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 90 I 8.15 3.64 2.11 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 1.56 0.68 1.13 0.00 0.00 91 I 8.10 3.75 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.19 0.98 0.00 0.00 92 L 8.13 3.94 0.00 1.89 1.82 1.14 1.14 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 93 R 8.07 3.47 0.00 1.69 1.69 0.00 2.94 0.00 0.00 2.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 94 Y 7.68 3.61 0.00 2.96 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 95 V 7.66 3.43 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 0.37 0.00 0.00 0.63 0.00 0.00 96 T 7.67 4.04 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 1.23 0.00 0.00 97 Y 7.63 4.31 0.00 3.21 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 98 A 7.87 4.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.49 3.80 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 0.95 0.00 0.00 1.20 0.00 0.00 100 F 8.21 4.23 0.00 3.23 3.31 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 0.00 101 A 8.82 4.35 1.45 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 0.00 110 R 7.44 4.28 0.00 1.49 1.78 0.00 3.23 0.00 0.00 3.20 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 111 C 7.19 4.28 0.00 1.75 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 0.00 112 L 7.89 4.00 0.00 1.72 1.66 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.87 4.39 0.00 2.79 2.67 0.00 0.00 7.31 7.33 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 0.00 114 G 8.89 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.65 3.68 0.00 1.80 1.63 0.24 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.83 3.96 0.00 2.20 1.91 0.00 3.25 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 117 E 8.05 4.04 0.00 2.22 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 2.38 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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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.02 4.16 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.95 4.12 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 0.00 129 V 7.50 3.51 2.22 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 1.20 0.00 0.00 0.55 0.00 0.00 130 A 8.30 4.02 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 0.00 131 V 7.95 3.61 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 132 G 8.04 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.31 3.81 2.29 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 1.34 0.00 0.00 1.04 0.00 0.00 134 G 8.63 3.58 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 0.00 135 K 8.02 4.00 0.00 1.93 1.79 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.59 7.81 136 M 7.79 4.01 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.70 0.00 137 K 7.71 2.00 0.00 1.03 1.62 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.14 0.98 7.81 138 E 7.80 3.75 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 139 A 7.75 3.93 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 0.00 140 A 8.33 3.95 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 0.00 141 L 8.35 3.97 0.00 1.73 1.71 0.88 0.91 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 0.00 142 A 7.90 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.38 3.71 2.04 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 0.70 1.01 0.00 0.00 144 V 7.63 3.78 2.26 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 0.86 0.00 0.00 1.00 0.00 0.00 145 N 8.21 4.72 0.00 2.72 2.85 0.00 0.00 7.03 8.92 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 0.00 146 D 7.32 4.36 0.00 2.72 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 0.00 147 P 0.00 4.36 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 148 A 8.12 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 0.00 149 G 8.70 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 0.00 150 I 7.35 4.44 1.88 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 1.42 0.68 0.98 0.00 0.00 151 T 8.41 3.97 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 0.00 152 P 0.00 4.24 0.00 2.17 2.07 0.00 3.81 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 1.99 1.98 0.00 153 G 7.95 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 0.00 154 D 8.70 4.67 0.00 2.62 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 0.00 155 C 8.40 4.80 0.00 3.00 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 0.00 156 S 8.27 4.10 0.00 4.04 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 0.00 157 A 7.90 3.93 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 0.00 158 L 7.90 3.83 0.00 1.77 1.86 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.30 4.05 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 0.00 160 S 8.12 3.99 0.00 3.89 4.02 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 0.00 161 E 7.95 3.64 0.00 1.99 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 0.00 1.74 2.15 0.00 162 I 8.14 3.82 2.12 0.00 0.00 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 1.59 0.93 1.18 0.00 0.00 163 A 8.69 4.25 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.01 4.15 0.00 3.98 4.11 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 0.00 165 Y 7.52 4.37 0.00 3.03 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 8.23 4.19 0.00 3.29 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 0.00 167 D 8.42 4.51 0.00 2.90 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 0.00 168 R 7.91 3.94 0.00 2.18 2.03 0.00 3.40 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 169 A 7.92 4.05 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 0.00 170 C 8.24 4.23 0.00 3.21 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 0.00 171 A 8.08 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 0.00 172 A 8.05 4.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 7.33 4.41 2.29 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 1.20 0.00 0.00 1.15 0.00 0.00 174 S 8.04 4.48 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.