NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4874 8.3044 120.3544 55.2929 34.1645 175.1752 2 S 4.3641 8.2073 107.9453 58.7168 68.6143 173.6354 3 F 4.8556 10.2300 117.7919 57.2931 40.4854 176.5806 4 T 3.9622 8.2331 119.4583 66.2566 68.1698 174.3730 5 N 4.8209 7.9715 114.2087 52.1088 38.3213 174.5545 6 A 4.1798 7.7916 123.6489 52.3744 19.1208 177.8177 7 T 4.2786 8.4731 113.2553 61.0390 70.1520 175.0854 8 F 4.2464 9.2632 125.1041 62.1502 39.2926 177.6431 9 S 4.1996 7.9534 112.1051 61.4848 62.3077 176.1806 10 Q 4.1036 8.3362 120.9117 58.5757 28.3952 178.7880 11 V 3.8063 7.6438 119.1139 65.9680 31.6368 177.9734 12 L 3.8038 7.6584 118.6902 57.7391 41.4141 178.9560 13 D 4.3023 7.7275 118.4081 57.6356 40.7806 178.5997 14 D 4.3821 8.0531 117.8536 57.4728 41.3083 178.3401 15 L 4.3180 8.1259 119.4986 57.6835 41.1368 179.6034 16 S 4.1091 8.3630 115.5190 61.5283 62.5470 176.6487 17 A 3.9608 7.7193 122.1758 55.1801 18.2995 179.5353 18 R 3.7017 8.2211 116.1777 58.4670 30.0319 176.8770 19 F 4.5868 7.7534 113.7302 58.9615 41.9232 174.9054 20 I 4.2409 7.3435 120.1896 61.2281 39.1792 176.5711 21 L 3.5607 8.6711 121.5192 56.2982 41.0155 174.7385 22 N 5.0700 8.9372 114.9815 52.1943 38.9248 174.1756 23 L 4.6055 7.4607 116.9911 52.3345 44.2792 175.5481 24 P 4.3149 0.0000 0.0000 62.4508 31.3731 176.7059 25 A 4.0073 8.4256 121.4506 55.5829 18.6257 179.6510 26 E 3.9695 8.2570 114.1012 59.6177 29.6993 178.6057 27 E 4.5370 7.4352 115.4874 57.0996 29.9381 176.0412 28 Q 4.7242 7.5402 115.7052 55.5200 29.6433 175.6720 29 S 4.6704 7.9177 108.9073 57.5505 64.2061 174.2612 30 S 4.6036 7.9810 114.0169 55.9860 65.2409 174.8615 31 V 3.4189 8.3138 120.4567 63.7130 31.3799 178.2272 32 E 3.9399 8.1142 118.3254 59.6005 29.3446 178.8846 33 R 3.9503 7.7350 118.3739 59.5341 30.0008 178.2757 34 L 3.9010 7.3541 119.3971 58.4807 42.1405 178.6670 35 C 3.7143 8.5035 116.9733 62.6665 27.9433 175.8443 36 F 4.2650 8.6118 122.5292 61.6278 38.9771 177.2425 37 Q 3.9943 8.2114 117.5909 58.7047 28.5334 178.5635 38 I 3.7593 8.0217 121.4744 64.3501 37.0957 178.0471 39 E 3.7027 8.3495 120.2284 59.0231 29.3940 178.9497 40 Q 3.8433 7.5036 117.5613 58.7269 28.8019 178.1898 41 A 2.8375 7.0231 121.5696 55.2624 18.2637 178.8816 42 H 2.6200 7.6166 116.2108 59.0128 29.6677 177.4205 43 W 4.4546 7.3027 120.0304 59.5894 28.7925 178.3243 44 F 4.2286 8.3082 120.7445 61.4238 38.8586 176.3896 45 Y 4.0449 8.5293 119.4886 60.9518 38.3561 178.1104 46 E 3.7363 8.0724 117.9956 59.2523 29.6228 178.5648 47 D 4.1858 8.0360 117.8548 55.6669 40.5332 177.6607 48 F 4.6468 7.3607 116.4477 59.0627 40.4181 178.1224 49 I 3.3958 7.1782 118.5552 64.3891 37.0248 178.4580 50 R 3.8275 7.5639 118.5473 59.2291 29.7330 178.8335 51 A 4.0573 7.0433 115.3279 54.3453 18.3742 178.4158 52 Q 4.4979 7.8711 114.5803 55.2157 30.5219 175.3462 53 N 5.0127 7.6518 117.3835 52.2453 42.2307 173.6664 54 D 4.5981 8.8281 124.8375 56.4688 41.7452 178.4886 55 Q 4.0661 8.3983 116.0606 58.8332 28.3579 177.1747 56 L 4.3931 7.4248 118.1409 53.4153 42.1231 174.8843 57 P 4.5285 0.0000 0.0000 62.0011 32.4016 175.7115 58 S 4.5647 8.5539 115.6504 58.0525 62.8015 173.2650 59 L 4.9374 8.5001 126.9010 52.3008 45.0807 177.1295 60 G 3.8870 8.2965 106.7371 44.2102 0.0000 174.6549 61 L 3.6804 8.1753 122.0481 57.6981 42.1397 179.2281 62 R 3.8682 7.7557 118.3373 59.0072 29.7118 178.3968 63 V 3.6367 7.5676 117.7576 65.5940 31.6129 177.7563 64 F 4.0551 8.7595 120.9369 61.3544 39.3083 176.8580 65 S 3.7811 8.0533 112.4903 61.4988 62.1241 176.0869 66 A 3.8640 7.7732 122.6577 55.1606 17.8731 179.8206 67 K 3.9943 7.3300 115.7344 59.2756 32.1565 179.1240 68 L 3.8707 7.4409 119.9381 58.1501 42.0222 178.6924 69 F 3.8826 8.4809 117.6005 59.9577 38.7981 175.8705 70 A 4.6457 7.7510 119.8699 52.8696 19.1621 177.7698 71 H 4.6612 8.1152 120.2104 57.8072 32.7473 173.1894 72 C 4.6963 7.4305 115.9790 58.9585 28.7914 173.3877 *76 W 4.4510 8.0108 128.7857 57.1094 30.9639 173.9929 77 K 4.6402 7.8931 126.3096 54.0085 34.1517 175.7766 78 W 4.3051 8.7489 134.3829 60.6343 30.9441 177.6297 79 S 4.3175 8.2244 112.6140 58.6755 61.7664 176.0615 80 K 3.8611 7.8705 124.0099 59.7666 31.9730 179.1711 81 V 3.4482 7.3120 119.3710 65.8290 31.2985 176.6615 82 H 4.4195 7.5283 113.6308 56.4847 28.5292 176.4261 83 E 3.8940 7.5450 122.1709 58.1583 29.1920 177.8978 84 E 4.0204 7.8292 118.5783 58.8039 29.4696 178.5073 85 A 4.0364 7.7761 119.2940 54.3687 18.5383 178.7194 86 F 4.6322 7.7660 119.4647 61.1889 37.9411 177.2837 87 D 4.2357 7.8920 118.1666 56.8439 40.3735 178.0711 88 D 4.6597 7.9553 118.7986 56.7034 40.9601 176.9632 89 F 4.6543 7.8415 116.4115 57.4747 39.9530 175.8809 90 L 4.5267 7.7244 119.2542 56.5708 43.6338 178.3713 91 R 4.4109 7.5571 114.1163 56.9513 29.8819 175.8779 92 Y 4.4819 7.9225 112.5585 58.1155 39.7451 176.3209 93 K 4.1851 8.0691 117.5929 57.8061 33.4760 176.6965 94 T 4.2441 7.2826 112.7171 60.8404 68.4779 173.0423 95 R 4.3504 8.3473 128.8065 54.2437 30.9335 175.7079 96 I 4.1678 7.9978 123.8791 59.2380 39.1628 173.6506 97 P 4.5342 0.0000 0.0000 63.5531 32.5421 175.4074 98 V 4.9085 8.8889 116.2602 59.6723 35.5153 174.9289 99 R 5.1034 8.7934 121.9989 55.0543 34.2627 175.1415 100 G 4.0074 8.6146 107.9473 45.9656 0.0000 171.4605 101 A 5.2483 8.1981 121.7059 50.4483 23.2224 176.9151 102 I 4.2402 8.8520 120.2386 59.7246 39.2982 174.6358 103 M 4.7766 8.3612 127.3653 54.6544 33.2762 175.6826 104 L 5.8050 9.8198 124.2677 52.2921 45.3832 177.3656 105 D 4.0440 8.9959 120.7045 55.0503 40.5761 178.6743 106 M 4.8574 8.0957 128.0640 56.7920 30.7975 177.0049 107 S 4.2355 7.6758 111.8620 59.1147 63.6451 173.4482 108 M 3.2654 7.6186 119.2057 57.5321 29.7441 176.9037 109 Q 4.7890 8.6020 113.2039 55.5380 31.6525 176.1237 110 Q 5.2938 8.1963 117.7447 54.7231 33.7205 173.5561 111 C 5.9757 9.6776 117.0738 55.7959 33.3614 173.5712 112 V 3.1286 7.9372 123.2385 61.5355 31.2058 175.3306 113 L 4.6217 7.5099 124.6074 51.9453 45.0836 177.1805 114 V 4.7538 8.1684 119.3313 60.5613 32.1470 174.5483 *123 W 4.8274 7.5391 121.8577 57.0105 30.2031 176.0337 124 G 4.4476 8.3297 119.3770 45.9440 0.0000 171.1973 125 F 4.3663 8.1535 121.3232 56.7592 39.8917 174.3826 126 P 4.5985 0.0000 0.0000 62.8121 30.4604 174.8925 127 K 5.0310 9.2093 127.7065 57.2173 35.9888 175.4913 128 G 4.3169 7.4681 108.9193 44.9054 0.0000 171.8964 129 K 4.5463 7.9737 119.6689 56.2690 32.7878 176.9632 130 I 3.8826 8.3206 125.0462 61.0132 38.5528 175.3819 131 D 4.1480 9.3061 128.7422 54.8227 42.2358 178.3020 132 K 4.3599 7.9066 119.1874 57.1137 35.6482 175.4611 133 D 4.7630 7.2250 117.4634 52.4067 39.9035 174.3983 134 E 4.2305 8.1272 120.7406 56.5664 31.4571 177.1397 135 S 4.5333 8.1731 116.0945 58.3621 66.1504 173.8606 136 D 4.5031 8.3664 119.9344 57.6151 41.3127 178.5589 137 V 3.2671 7.6295 118.2373 66.0130 31.6075 177.3883 138 D 4.3310 8.0854 118.1500 57.5744 40.5324 178.3613 139 C 4.1293 7.7521 118.3032 62.2168 31.5022 175.5448 140 A 4.1658 7.8834 121.9705 55.1320 18.1201 179.3329 141 I 3.6149 7.5068 118.0982 64.6744 37.0356 178.5368 142 R 3.9301 7.9402 119.2975 59.6769 29.7525 178.3996 143 E 3.9887 8.5197 118.3873 59.1447 29.4211 179.0874 144 V 3.9633 8.1570 111.3568 63.0666 31.7308 177.6551 145 Y 5.0153 8.4125 121.6360 58.9386 38.4165 176.0076 146 E 4.6335 7.6606 113.8756 55.6069 30.8667 175.9900 147 E 4.2814 8.2376 121.3298 58.2275 30.3643 176.8171 148 T 4.4276 7.8380 106.2452 60.4256 71.1790 172.9143 149 G 4.0259 8.9386 108.8178 46.4549 0.0000 173.1148 150 F 4.7354 8.2325 119.4855 56.5264 43.1694 172.6929 151 D 4.5399 7.5657 127.0422 53.0970 40.6850 174.9544 152 C 4.6825 8.2829 120.5722 57.7956 30.0270 175.6032 153 S 4.2114 8.0643 114.9042 60.5000 62.3582 174.8269 154 S 4.6668 7.8412 115.5337 58.6369 63.9272 174.5014 155 R 4.5885 7.6458 116.4761 55.5374 32.1962 175.6718 156 I 3.6392 7.9445 119.2955 60.8733 38.3470 174.4694 157 N 4.8058 8.6565 126.5128 51.3139 38.9031 173.4006 158 P 4.5932 0.0000 0.0000 64.7983 31.5780 177.0756 159 N 4.8847 8.4324 114.2795 52.6460 39.1030 174.3640 160 E 4.3843 8.6282 119.5498 54.8172 31.2845 174.7908 161 F 5.0465 7.2966 117.2832 55.8894 40.9078 173.8002 162 I 4.7770 8.0751 112.6702 59.4935 37.2246 175.8012 163 D 4.8644 8.1645 119.2934 55.3604 40.1333 176.7940 164 M 4.7627 9.1912 118.1587 54.6627 35.4204 173.4489 165 T 5.4630 8.1967 109.3901 59.3842 70.6286 173.8536 166 I 4.0577 8.2858 128.5404 60.8303 37.6850 176.3498 167 R 3.5314 9.7046 124.3252 57.1700 27.3712 177.3930 168 G 3.8903 8.6590 104.6443 44.9154 0.0000 173.3226 169 Q 4.5431 7.6461 121.8699 53.7412 31.4323 174.0619 170 N 4.6627 8.7931 125.5739 53.8447 40.2727 173.2890 171 V 4.7944 8.9850 127.3382 61.0837 34.3298 173.9926 172 R 4.6251 8.6972 128.3251 54.3944 32.7237 174.2466 173 L 4.9869 8.1308 125.8278 52.7270 44.3769 175.2704 174 Y 4.5964 8.3836 122.7783 58.1744 38.9876 175.5173 175 I 4.3994 7.9736 125.1998 60.0169 38.6709 175.3263 176 I 4.6188 8.8373 127.9232 58.9507 39.8995 173.5651 177 P 4.6863 0.0000 0.0000 61.5509 33.0998 175.9812 178 G 4.5196 8.4220 107.2516 47.7081 0.0000 174.5314 179 I 4.2832 8.4990 122.8832 61.1390 36.7453 177.0379 180 S 3.4755 9.5046 118.8259 59.3768 62.6149 173.3279 181 L 3.1904 10.8200 116.7995 54.9171 41.6615 173.8147 182 D 4.9047 7.4327 116.6588 53.2073 39.2719 175.6162 183 T 4.0222 8.2332 115.7807 64.0734 69.3794 175.6892 184 R 4.0662 8.1736 121.9996 55.7279 28.6968 175.3980 185 F 5.1004 8.3646 122.5800 55.9651 41.8623 173.5895 186 E 4.6105 9.3650 128.8923 56.0754 36.4429 176.2140 187 S 3.7810 9.4433 116.6351 59.6431 62.8529 170.7869 188 R 3.8007 8.0326 118.7307 57.2159 27.6456 177.2792 *196 I 3.9929 8.5652 107.2973 59.3599 40.2884 175.0345 197 E 3.6800 7.5198 124.6548 53.9181 29.0503 174.1106 198 W 4.4836 8.4338 119.9152 57.1664 30.2738 175.0371 199 H 4.9336 8.6989 117.2024 54.3373 33.1313 172.7323 200 N 5.6494 8.4895 117.0547 51.9387 39.7544 176.6705 201 L 4.0286 8.6148 122.1470 58.1520 42.0503 178.5880 202 M 4.1931 7.9598 116.9045 58.0964 32.6359 176.6774 203 D 4.4610 8.0763 117.5918 56.9213 41.6314 176.7042 204 L 4.1080 7.9238 118.1595 54.9379 42.1103 176.5274 205 P 4.1675 0.0000 0.0000 65.2692 31.8514 176.8432 206 T 4.3629 7.6631 111.9422 64.7756 70.7072 174.9651 *220 Y 4.7203 7.6810 117.5795 58.2215 39.7407 176.0410 221 M 4.5320 8.2350 116.0748 56.1436 32.7046 176.0978 222 V 4.6016 7.7180 116.5027 64.6863 34.1293 177.2840 223 I 3.7603 8.1933 120.2183 64.3821 36.6903 176.2593 224 P 4.1844 0.0000 0.0000 65.3015 31.3869 177.9065 225 F 4.3893 8.3726 115.7339 58.9825 38.9571 178.0127 226 L 4.1206 8.2917 119.6381 57.5396 41.4764 178.9715 227 A 4.0754 8.0131 120.2112 54.9936 18.2119 177.8744 228 P 4.3112 0.0000 0.0000 65.2973 31.6870 178.5148 229 L 4.1755 8.0464 119.3934 58.2497 42.0857 178.9760 230 K 4.0095 8.9036 119.1790 59.6228 31.7906 179.2184 231 K 4.0716 8.0152 118.6347 58.9194 32.1597 178.2854 232 W 4.2498 8.1218 127.6882 59.5444 30.6958 175.8008 233 I 3.9425 7.4854 123.5231 61.6468 36.5261 175.5710 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 4.49 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 S 8.21 4.36 0.00 3.89 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 3 F 10.23 4.86 0.00 3.18 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 4 T 8.23 3.96 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 1.25 0.00 0.00 5 N 7.97 4.82 0.00 2.84 2.93 0.00 0.00 5.97 7.26 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 6 A 7.79 4.18 1.56 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 0.00 0.00 7 T 8.47 4.28 4.36 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 1.29 0.00 0.00 8 F 9.26 4.25 0.00 3.21 3.24 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 9 S 7.95 4.20 0.00 3.91 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 10 Q 8.34 4.10 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 11 V 7.64 3.81 2.24 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 1.23 0.00 0.00 1.17 0.00 0.00 12 L 7.66 3.80 0.00 1.34 1.37 0.76 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.73 4.30 0.00 2.95 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 14 D 8.05 4.38 0.00 3.11 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 15 L 8.13 4.32 0.00 1.97 1.86 1.08 0.99 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 16 S 8.36 4.11 0.00 4.01 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 17 A 7.72 3.96 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 18 R 8.22 3.70 0.00 1.78 1.66 0.00 2.37 0.00 0.00 2.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 19 F 7.75 4.59 0.00 3.17 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 20 I 7.34 4.24 1.89 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 1.34 1.10 0.83 0.00 0.00 21 L 8.67 3.56 0.00 1.98 1.79 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.94 5.07 0.00 2.47 2.71 0.00 0.00 6.97 7.73 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 23 L 7.46 4.61 0.00 1.62 1.59 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.31 0.00 2.17 1.99 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 25 A 8.43 4.01 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 26 E 8.26 3.97 0.00 1.96 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 0.00 2.32 2.37 0.00 27 E 7.44 4.54 0.00 2.09 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 2.31 2.24 0.00 28 Q 7.54 4.72 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.44 7.38 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 29 S 7.92 4.67 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.98 4.60 0.00 3.77 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 3.42 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 0.65 0.00 0.00 0.75 0.00 0.00 32 E 8.11 3.94 0.00 1.97 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 2.43 2.37 0.00 33 R 7.74 3.95 0.00 1.80 1.97 0.00 3.36 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 34 L 7.35 3.90 0.00 1.63 1.76 0.85 0.97 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 35 C 8.50 3.71 0.00 3.00 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 36 F 8.61 4.26 0.00 3.21 3.38 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 37 Q 8.21 3.99 0.00 2.34 2.22 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 2.86 2.66 0.00 38 I 8.02 3.76 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 1.09 0.00 0.00 39 E 8.35 3.70 0.00 2.06 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 2.22 2.25 0.00 40 Q 7.50 3.84 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 1.94 2.19 0.00 41 A 7.02 2.84 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 42 H 7.62 2.62 0.00 2.39 2.68 0.00 5.79 0.00 0.00 0.00 0.00 6.92 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 -0.26 0.00 0.00 0.16 0.00 0.00 113 L 7.51 4.62 0.00 1.04 1.20 0.40 -0.11 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 0.00 114 V 8.17 4.75 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 0.73 0.00 0.00 1.03 0.00 0.00 *123 W 7.54 4.83 0.00 3.06 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 0.00 124 G 8.33 4.45 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 0.00 125 F 8.15 4.37 0.00 2.74 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 0.00 126 P 0.00 4.60 0.00 2.18 2.19 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 127 K 9.21 5.03 0.00 1.70 1.80 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.74 7.81 128 G 7.47 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 0.00 0.00 0.00 0.00 129 K 7.97 4.55 0.00 1.65 1.75 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.44 7.81 130 I 8.32 3.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.75 0.94 0.00 0.00 131 D 9.31 4.15 0.00 2.85 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.91 4.36 0.00 1.78 1.79 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.53 7.81 133 D 7.23 4.76 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 4.23 0.00 2.00 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 2.48 2.42 0.00 135 S 8.17 4.53 0.00 3.89 3.82 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 0.00 0.00 0.00 136 D 8.37 4.50 0.00 2.81 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 0.00 137 V 7.63 3.27 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 0.75 0.00 0.00 0.81 0.00 0.00 138 D 8.09 4.33 0.00 2.69 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 0.00 139 C 7.75 4.13 0.00 3.13 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 0.00 140 A 7.88 4.17 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 0.00 141 I 7.51 3.61 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.79 0.00 0.00 142 R 7.94 3.93 0.00 2.12 2.07 0.00 3.10 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 143 E 8.52 3.99 0.00 2.16 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 2.44 2.68 0.00 144 V 8.16 3.96 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.18 0.00 0.00 145 Y 8.41 5.02 0.00 3.25 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 0.00 146 E 7.66 4.63 0.00 2.15 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 2.53 2.24 0.00 147 E 8.24 4.28 0.00 2.20 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 2.28 2.29 0.00 148 T 7.84 4.43 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 1.05 0.00 0.00 149 G 8.94 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.23 4.74 0.00 3.21 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 0.00 151 D 7.57 4.54 0.00 2.71 2.32 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 0.00 152 C 8.28 4.68 0.00 3.37 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 0.00 153 S 8.06 4.21 0.00 3.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 7.84 4.67 0.00 3.85 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 7.65 4.59 0.00 1.89 2.02 0.00 3.45 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 1.60 1.68 0.00 156 I 7.94 3.64 1.98 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.83 0.84 0.00 0.00 157 N 8.66 4.81 0.00 2.85 2.81 0.00 0.00 7.21 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 0.00 158 P 0.00 4.59 0.00 2.17 2.17 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 159 N 8.43 4.88 0.00 2.73 2.80 0.00 0.00 6.74 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 0.00 160 E 8.63 4.38 0.00 2.03 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 2.31 2.59 0.00 161 F 7.30 5.05 0.00 2.68 2.44 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 0.00 162 I 8.08 4.78 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.94 0.89 0.00 0.00 163 D 8.16 4.86 0.00 2.66 2.38 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 0.00 164 M 9.19 4.76 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.83 0.00 165 T 8.20 5.46 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 1.17 0.00 0.00 166 I 8.29 4.06 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 1.43 0.52 0.93 0.00 0.00 167 R 9.70 3.53 0.00 1.91 1.99 0.00 3.18 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 168 G 8.66 3.89 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 0.00 0.00 0.00 169 Q 7.65 4.54 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 170 N 8.79 4.66 0.00 2.86 2.65 0.00 0.00 6.65 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 0.00 171 V 8.98 4.79 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 1.06 0.00 0.00 1.06 0.00 0.00 172 R 8.70 4.63 0.00 1.61 1.49 0.00 2.55 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.81 0.00 173 L 8.13 4.99 0.00 1.09 1.06 -0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 174 Y 8.38 4.60 0.00 2.89 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 0.00 175 I 7.97 4.40 0.69 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.04 0.32 0.00 0.00 176 I 8.84 4.62 1.92 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 1.29 1.41 1.07 0.00 0.00 177 P 0.00 4.69 0.00 2.21 2.29 0.00 4.03 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 178 G 8.42 4.52 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 0.00 179 I 8.50 4.28 2.27 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.21 0.89 0.00 0.00 180 S 9.50 3.48 0.00 4.04 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 0.00 181 L 10.82 3.19 0.00 1.61 1.62 0.73 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 182 D 7.43 4.90 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.02 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 0.83 0.00 0.00 184 R 8.17 4.07 0.00 2.00 1.95 0.00 2.97 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 185 F 8.36 5.10 0.00 2.98 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 0.00 186 E 9.37 4.61 0.00 2.05 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 2.26 2.33 0.00 187 S 9.44 3.78 0.00 3.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 R 8.03 3.80 0.00 1.97 1.65 0.00 3.40 0.00 0.00 3.51 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 *196 I 8.57 3.99 1.83 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 1.36 0.49 0.93 0.00 0.00 197 E 7.52 3.68 0.00 1.98 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 2.32 2.30 0.00 198 W 8.43 4.48 0.00 3.02 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 0.00 199 H 8.70 4.93 0.00 2.80 3.02 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 N 8.49 5.65 0.00 2.73 2.80 0.00 0.00 7.63 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 0.00 201 L 8.61 4.03 0.00 1.66 1.78 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 202 M 7.96 4.19 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 203 D 8.08 4.46 0.00 2.66 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 0.00 204 L 7.92 4.11 0.00 1.82 1.57 0.89 1.38 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 0.00 205 P 0.00 4.17 0.00 2.00 1.96 0.00 3.54 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.98 0.00 206 T 7.66 4.36 4.27 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 0.00 0.00 0.00 1.24 0.00 0.00 *220 Y 7.68 4.72 0.00 3.07 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 0.00 221 M 8.23 4.53 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 222 V 7.72 4.60 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 0.91 0.00 0.00 0.70 0.00 0.00 223 I 8.19 3.76 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.44 0.96 0.00 0.00 224 P 0.00 4.18 0.00 1.75 1.98 0.00 3.75 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 2.05 2.20 0.00 225 F 8.37 4.39 0.00 3.38 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 0.00 226 L 8.29 4.12 0.00 1.85 1.79 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 227 A 8.01 4.08 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 0.00 228 P 0.00 4.31 0.00 2.09 2.17 0.00 3.86 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 229 L 8.05 4.18 0.00 2.06 1.96 0.80 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 230 K 8.90 4.01 0.00 2.05 1.91 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.66 7.81 231 K 8.02 4.07 0.00 2.06 2.11 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 232 W 8.12 4.25 0.00 3.47 3.41 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 0.00 233 I 7.49 3.94 1.99 0.00 0.00 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 1.60 1.02 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.