NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.3297 8.3049 120.3302 55.1162 34.1989 175.6503 5 F 4.5235 8.0062 116.0403 55.7569 39.6968 176.8240 6 R 3.6376 8.3241 119.6467 58.6590 30.6276 176.3392 7 K 5.6495 7.9226 119.7885 55.8901 32.7782 175.7325 8 V 4.0420 7.7676 116.9155 61.0730 33.8784 176.1033 9 L 5.0878 8.3357 124.2054 53.7519 45.8391 175.7815 10 F 5.1247 8.3210 125.1809 57.5354 41.8819 171.1293 11 P 4.5731 0.0000 0.0000 62.5353 31.6653 175.7821 12 T 4.1330 8.0867 120.1835 60.2895 68.7930 173.7904 13 D 4.4623 8.5010 126.2017 53.4233 41.6649 176.0760 14 F 3.9093 7.4800 113.4144 59.1588 37.7494 175.4215 15 S 4.4932 8.1524 115.5886 57.7945 63.4075 174.7293 16 E 4.1779 9.0055 119.0383 60.3002 28.9753 179.9875 17 G 3.8407 8.5847 105.7634 47.2233 0.0000 175.4281 18 A 3.9906 8.0867 122.8555 55.3205 18.4296 179.4078 19 Y 4.1761 7.8027 114.3306 61.0162 38.0177 178.5006 20 R 4.7331 8.7675 120.4119 58.9093 30.1703 178.8221 21 A 4.2466 8.3594 120.5375 55.1620 18.1999 179.9722 22 V 3.5945 7.6047 115.4136 66.2361 31.7269 177.7690 23 E 3.9787 8.1743 118.3269 59.7293 29.3577 179.4351 24 V 3.5859 8.3577 118.1585 66.2591 31.4593 177.8326 25 F 4.0667 8.6029 120.5177 61.1150 38.7037 176.5744 26 E 3.7311 8.3523 119.2665 58.9886 29.1937 178.8471 27 K 3.8698 8.5778 119.0901 59.5069 32.4606 178.4686 28 R 3.9177 7.8636 117.2838 58.2288 30.5049 176.4671 29 N 4.2612 7.5509 116.1966 52.4075 39.5270 174.6878 30 K 4.3011 8.0469 121.9103 56.1568 33.6935 175.9959 31 M 4.2383 8.1736 120.0939 54.1759 33.0103 175.1047 32 E 4.6630 8.1733 117.6170 54.1659 31.2330 176.1070 33 V 3.6574 8.0948 123.3879 63.5746 32.5274 175.5147 34 G 3.9632 10.1511 115.9518 46.7183 0.0000 172.0860 35 E 5.4635 8.8196 119.3832 53.3261 33.9587 175.0440 36 V 5.4235 8.5553 125.5114 59.2808 34.4148 174.3467 37 I 4.4252 8.1791 125.2093 59.8072 39.4208 174.6012 38 L 4.4793 8.4214 130.6436 53.8385 41.8322 175.2270 39 L 4.6835 8.3813 127.4133 54.6973 44.3100 174.9303 40 H 4.7841 8.7104 123.2876 54.8680 33.3354 172.1206 41 V 4.2481 8.0157 126.4467 60.9186 32.8531 174.7038 42 I 3.8586 7.8766 130.2685 60.3987 38.8389 174.3841 43 D 4.9085 8.7465 130.0484 54.3464 41.8533 175.7186 44 E 3.5749 10.2051 129.4473 59.8122 30.1355 178.6850 45 G 3.8553 8.8157 107.3396 49.5085 0.0000 175.1352 46 T 3.8583 8.2009 111.5405 63.7007 68.6325 175.8358 47 L 4.1394 7.6047 121.7732 57.8662 40.6573 179.0123 48 E 3.9051 8.7100 119.6011 59.3943 29.7989 176.1084 49 E 3.8653 7.9753 120.5231 56.3217 30.3916 176.1895 50 L 4.5672 7.3425 113.6482 54.8790 43.2652 177.1236 51 M 4.2545 7.6348 117.1284 53.6468 30.7869 175.7674 *64 E 4.2443 7.5938 118.4078 56.1650 32.7727 176.6133 65 L 4.5293 8.1604 120.6740 55.5826 41.6686 177.2523 66 K 4.5532 8.9250 110.6116 56.5108 32.5905 176.0985 67 D 4.7744 7.7917 114.8549 53.4117 42.6211 177.3273 68 I 3.8468 7.6955 121.9864 63.2083 37.9486 177.1661 69 K 3.7617 8.0085 120.4435 59.7737 31.4929 177.4670 70 E 4.4849 7.5559 115.4728 56.8817 29.8770 178.0434 71 K 3.9252 7.7254 120.1404 58.5468 32.3318 178.4586 72 L 4.1546 8.1074 119.5702 57.3200 41.5323 178.8210 73 K 4.0210 8.1291 119.7613 59.6707 32.2922 178.5036 74 E 4.0145 7.9974 117.5518 59.1937 29.5971 178.6015 75 E 3.8616 8.0988 119.0795 60.2378 29.7021 178.5789 76 A 4.1191 8.4093 120.8483 53.7976 18.3987 179.1549 77 S 4.1553 8.4267 114.1842 61.3551 63.3846 176.1607 78 R 4.0572 8.2387 122.7891 58.6213 29.5569 177.6095 79 K 4.1063 7.4848 120.2422 58.8845 33.2124 179.0276 80 L 4.3639 7.7929 121.9454 57.7462 42.3030 177.7821 81 Q 4.2602 7.7890 116.6112 57.0923 29.3677 175.9258 82 E 4.4076 8.0956 115.0282 58.1965 30.8125 177.5493 83 K 4.4022 8.2077 118.9095 57.2603 31.7509 178.0675 84 A 3.9891 8.0071 121.4535 55.9902 17.2269 178.6772 85 E 4.2056 8.0001 115.7236 57.2962 29.8358 177.1853 86 E 4.4965 8.0105 118.0616 58.4011 30.1866 177.5886 87 V 3.6130 7.4727 118.7878 65.9154 31.5135 177.6039 88 K 3.7902 7.6303 118.5486 59.8920 31.7235 178.5317 89 R 4.1259 7.3720 117.3527 58.6252 30.1094 178.0973 90 A 4.4836 8.2576 122.5085 54.4476 18.8128 179.3925 91 F 4.1873 9.3995 115.9681 58.2858 39.5859 175.4460 92 R 3.7411 7.7523 116.4655 57.0314 27.8936 176.2210 93 A 4.6366 8.4071 118.7646 51.4175 19.2476 179.7061 94 K 4.2035 8.9505 122.0915 59.3409 32.7923 177.1557 95 N 5.2378 8.5440 115.6915 51.7686 43.4813 174.0243 96 V 5.0443 8.1120 119.5762 60.5805 35.4616 174.0706 97 R 4.6973 8.1925 115.9958 55.9094 32.8402 173.3599 98 T 5.1023 8.3623 107.8847 60.3321 71.8639 173.4439 99 I 4.7602 8.1131 121.8668 59.8483 42.1433 174.2279 100 I 4.9089 8.2272 124.7310 59.7704 40.2830 174.9087 101 R 4.5551 8.3156 124.6105 54.2048 34.3467 174.6618 102 F 4.7849 9.3197 119.4111 56.3789 40.3407 177.1466 103 G 4.0761 7.6467 108.6796 46.1391 0.0000 171.6091 104 I 4.6351 7.6543 116.3248 59.3124 38.2808 174.1440 105 P 3.8484 0.0000 0.0000 65.8264 31.3563 177.9373 106 W 4.2810 8.1529 115.7806 59.5704 28.0239 177.4847 107 D 4.0903 6.9645 118.9412 56.2105 40.6349 178.2143 108 E 3.7801 7.6710 118.6938 59.5215 29.5697 178.8536 109 I 3.5625 7.5190 119.9657 64.7505 37.2250 178.4171 110 V 3.6466 7.7531 118.3966 65.5484 31.3381 178.2518 111 K 3.8860 8.0488 118.5035 59.6093 32.1172 179.5645 112 V 3.7217 8.4398 118.5395 65.6842 31.0492 177.4437 113 A 3.9280 8.2718 121.0738 55.6317 17.9436 179.3050 114 E 3.7236 8.2120 116.9374 59.3362 29.5035 178.9240 115 E 4.1803 7.9200 117.4647 58.3720 29.5510 177.7987 116 E 4.3947 7.5930 116.5886 55.4918 31.3833 176.8423 117 N 3.9502 7.3112 112.6758 55.0789 37.0973 173.9032 118 V 4.1224 7.3775 116.1176 60.2744 33.3753 176.9858 119 S 4.3817 8.0928 116.8540 61.0260 63.8058 174.2177 120 L 4.5917 7.6239 119.9225 53.3695 45.7341 174.0466 121 I 4.9531 8.7064 124.2852 59.2427 40.7778 174.1248 122 I 5.0349 8.9716 129.3568 59.5997 40.2361 174.6093 123 L 4.8146 9.0299 125.5583 52.3116 46.0734 174.3069 124 P 4.5876 0.0000 0.0000 62.3711 31.8273 176.1097 125 S 4.2731 8.9197 118.4851 59.7793 62.1675 173.9052 126 R 4.6052 7.7231 116.6925 53.0312 32.2234 177.3607 127 G 3.7642 8.7361 110.1335 48.7425 0.0000 175.5789 128 K 4.4176 7.5584 119.1433 55.3650 31.3604 179.9209 *131 L 3.8740 8.4585 134.8329 56.2181 40.8405 173.5137 132 S 3.9771 8.4409 125.5074 57.6821 62.9928 170.6681 133 H 5.0095 8.7453 118.5869 56.2855 28.6918 176.1378 134 E 4.3639 8.1363 119.5331 57.8645 32.2024 176.1171 135 F 4.2859 7.6551 121.4482 58.3576 39.5745 174.5208 136 L 3.7141 8.1934 130.6184 57.9042 42.3068 177.7693 137 G 3.5221 6.3331 106.0732 45.4484 0.0000 173.8235 138 S 4.5660 8.4261 115.8302 58.5883 65.3758 176.0882 139 T 3.9314 8.1326 115.6904 66.0948 66.9055 174.8652 140 V 3.5695 8.2560 119.5418 65.1165 31.4396 178.4984 141 M 3.5845 7.8672 116.0082 58.0767 31.9398 179.5539 142 R 3.7261 7.3295 116.6598 58.8089 30.4945 178.8963 143 V 3.7694 8.1919 118.1415 66.5251 31.3548 178.2205 144 L 3.7420 7.8072 119.2491 58.0306 42.3102 178.5601 145 R 4.1043 7.6394 116.4881 58.0338 30.2078 177.4922 146 K 4.3383 7.9212 116.6889 56.5812 33.1367 176.8307 147 T 4.2805 7.2695 112.4619 61.5855 68.2110 173.6543 148 K 4.3958 8.3002 122.8151 57.0709 34.0426 177.5023 149 K 3.8884 8.0264 116.8818 56.0093 32.6683 174.3153 150 P 4.6370 0.0000 0.0000 62.8218 33.2581 175.1693 151 V 4.7792 7.9796 119.4706 61.4291 34.6388 173.5680 152 L 4.5575 9.3956 131.1212 53.6011 43.6947 174.7259 153 I 4.7788 8.3863 127.6299 59.6989 39.0252 174.6565 154 I 4.3854 8.7466 130.6772 60.2999 39.8949 175.1033 155 K 4.3789 8.3545 124.4106 55.7178 35.8739 175.5408 156 E 4.8821 7.4137 116.5179 55.6068 32.1708 177.1020 157 V 4.1361 9.1199 123.8065 61.4800 34.3845 175.4984 158 D 5.0852 8.1117 125.1824 54.6753 38.9781 177.9966 159 E 4.3340 8.9015 125.8680 58.4982 30.6655 175.1410 160 N 4.4579 8.0460 121.3790 53.6356 39.0129 174.1351 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 M 8.30 4.33 0.00 1.61 2.11 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 2.47 2.46 0.00 5 F 8.01 4.52 0.00 3.15 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.32 3.64 0.00 1.92 2.22 0.00 2.97 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 7 K 7.92 5.65 0.00 1.82 1.66 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.26 7.81 8 V 7.77 4.04 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 0.69 0.00 0.00 1.01 0.00 0.00 9 L 8.34 5.09 0.00 1.64 1.44 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.32 5.12 0.00 2.99 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 11 P 0.00 4.57 0.00 1.66 1.76 0.00 3.41 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 12 T 8.09 4.13 4.07 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 0.71 0.00 0.00 13 D 8.50 4.46 0.00 2.60 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 14 F 7.48 3.91 0.00 3.27 3.18 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 0.00 0.00 0.00 15 S 8.15 4.49 0.00 4.14 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 9.01 4.18 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 17 G 8.58 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 0.00 0.00 0.00 18 A 8.09 3.99 1.23 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 0.00 0.00 0.00 19 Y 7.80 4.18 0.00 3.42 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 20 R 8.77 4.73 0.00 2.17 2.07 0.00 3.72 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 21 A 8.36 4.25 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 22 V 7.60 3.59 2.39 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 1.24 0.00 0.00 0.96 0.00 0.00 23 E 8.17 3.98 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 24 V 8.36 3.59 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 1.06 0.00 0.00 1.03 0.00 0.00 25 F 8.60 4.07 0.00 2.97 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 26 E 8.35 3.73 0.00 2.11 2.14 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 2.31 2.33 0.00 27 K 8.58 3.87 0.00 1.71 1.77 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.59 7.81 28 R 7.86 3.92 0.00 1.70 1.89 0.00 3.23 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 29 N 7.55 4.26 0.00 1.44 1.42 0.00 0.00 7.13 6.97 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 30 K 8.05 4.30 0.00 1.59 1.65 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.25 7.81 31 M 8.17 4.24 0.00 1.80 1.56 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 32 E 8.17 4.66 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 33 V 8.09 3.66 2.31 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 1.26 0.00 0.00 1.44 0.00 0.00 34 G 10.15 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 35 E 8.82 5.46 0.00 2.02 1.76 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 2.16 2.20 0.00 36 V 8.56 5.42 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 0.40 0.00 0.00 0.47 0.00 0.00 37 I 8.18 4.43 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.08 0.86 0.00 0.00 38 L 8.42 4.48 0.00 1.70 1.67 0.91 0.37 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 39 L 8.38 4.68 0.00 1.76 1.36 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.71 4.78 0.00 3.00 3.03 0.00 5.79 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.02 4.25 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.77 0.00 0.00 42 I 7.88 3.86 1.85 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.75 0.00 0.00 43 D 8.75 4.91 0.00 2.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 10.21 3.57 0.00 1.99 1.93 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 2.30 2.33 0.00 45 G 8.82 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 46 T 8.20 3.86 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 1.29 0.00 0.00 47 L 7.60 4.14 0.00 1.91 2.01 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.71 3.91 0.00 2.21 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 2.35 2.30 0.00 49 E 7.98 3.87 0.00 1.91 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 0.00 2.32 2.42 0.00 50 L 7.34 4.57 0.00 2.02 1.77 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 51 M 7.63 4.25 0.00 2.04 2.01 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 2.54 2.49 0.00 *64 E 7.59 4.24 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 65 L 8.16 4.53 0.00 1.53 0.73 0.90 0.57 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 66 K 8.93 4.55 0.00 1.72 1.71 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.32 7.81 67 D 7.79 4.77 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.70 3.85 1.86 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 1.52 1.24 0.95 0.00 0.00 69 K 8.01 3.76 0.00 1.57 1.80 0.00 1.58 0.00 0.00 1.25 0.00 0.00 2.58 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.03 0.21 7.81 70 E 7.56 4.48 0.00 2.18 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 2.34 2.21 0.00 71 K 7.73 3.93 0.00 1.89 1.81 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 72 L 8.11 4.15 0.00 2.29 1.86 0.96 0.78 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 73 K 8.13 4.02 0.00 2.14 2.14 0.00 1.78 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.60 7.81 74 E 8.00 4.01 0.00 2.08 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 0.00 2.32 2.36 0.00 75 E 8.10 3.86 0.00 2.20 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 2.52 2.52 0.00 76 A 8.41 4.12 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.16 0.00 3.92 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 78 R 8.24 4.06 0.00 2.02 1.70 0.00 3.23 0.00 0.00 3.19 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 79 K 7.48 4.11 0.00 2.04 1.94 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.17 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.11 0.40 7.81 80 L 7.79 4.36 0.00 2.17 1.80 0.95 0.43 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 81 Q 7.79 4.26 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 82 E 8.10 4.41 0.00 2.20 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 0.00 2.23 2.47 0.00 83 K 8.21 4.40 0.00 2.18 2.23 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.83 7.81 84 A 8.01 3.99 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 85 E 8.00 4.21 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 86 E 8.01 4.50 0.00 2.08 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 2.40 2.37 0.00 87 V 7.47 3.61 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 0.21 0.00 0.00 0.86 0.00 0.00 88 K 7.63 3.79 0.00 1.97 1.82 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 89 R 7.37 4.13 0.00 2.23 2.14 0.00 3.33 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 90 A 8.26 4.48 1.49 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 0.00 0.00 0.00 91 F 9.40 4.19 0.00 3.31 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 92 R 7.75 3.74 0.00 2.04 1.97 0.00 3.06 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 93 A 8.41 4.64 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 94 K 8.95 4.20 0.00 1.67 1.91 0.00 1.71 0.00 0.00 2.00 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.74 1.46 7.81 95 N 8.54 5.24 0.00 2.69 2.64 0.00 0.00 6.42 7.82 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 96 V 8.11 5.04 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 0.74 0.00 0.00 0.89 0.00 0.00 97 R 8.19 4.70 0.00 1.89 2.05 0.00 2.69 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 98 T 8.36 5.10 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 99 I 8.11 4.76 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.06 0.85 0.00 0.00 100 I 8.23 4.91 1.79 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 1.32 0.44 0.62 0.00 0.00 101 R 8.32 4.56 0.00 1.54 1.65 0.00 3.20 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.61 0.00 102 F 9.32 4.78 0.00 3.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.65 4.08 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 0.00 0.00 0.00 104 I 7.65 4.64 0.95 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.75 0.75 0.00 0.00 105 P 0.00 3.85 0.00 2.21 2.03 0.00 3.55 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 106 W 8.15 4.28 0.00 3.60 3.61 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 0.00 107 D 6.96 4.09 0.00 1.58 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 0.00 0.00 0.00 108 E 7.67 3.78 0.00 1.96 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 2.36 2.30 0.00 109 I 7.52 3.56 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 0.86 0.00 0.00 110 V 7.75 3.65 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 1.08 0.00 0.00 1.12 0.00 0.00 111 K 8.05 3.89 0.00 2.07 1.79 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.42 7.81 112 V 8.44 3.72 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 0.96 0.00 0.00 0.86 0.00 0.00 113 A 8.27 3.93 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 0.00 114 E 8.21 3.72 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 115 E 7.92 4.18 0.00 1.96 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 2.33 2.52 0.00 116 E 7.59 4.39 0.00 1.92 1.93 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 2.26 2.32 0.00 117 N 7.31 3.95 0.00 2.79 2.95 0.00 0.00 7.06 7.59 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 0.00 118 V 7.38 4.12 2.27 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 0.77 0.00 0.00 0.97 0.00 0.00 119 S 8.09 4.38 0.00 3.88 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 0.00 120 L 7.62 4.59 0.00 1.66 1.33 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.71 4.95 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.26 0.94 0.00 0.00 122 I 8.97 5.03 2.11 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 1.30 1.44 1.10 0.00 0.00 123 L 9.03 4.81 0.00 1.57 1.42 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.59 0.00 1.93 2.14 0.00 3.55 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 125 S 8.92 4.27 0.00 3.85 4.08 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 0.00 126 R 7.72 4.61 0.00 2.18 2.11 0.00 3.11 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 127 G 8.74 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 0.00 0.00 0.00 128 K 7.56 4.42 0.00 1.92 1.15 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.33 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.54 7.81 *131 L 8.46 3.87 0.00 1.65 1.69 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.44 3.98 0.00 4.12 3.88 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 0.00 133 H 8.75 5.01 0.00 3.33 3.37 0.00 5.52 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.14 4.36 0.00 1.97 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 2.08 2.16 0.00 135 F 7.66 4.29 0.00 3.14 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 0.00 136 L 8.19 3.71 0.00 1.47 1.43 0.81 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 137 G 6.33 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 0.00 138 S 8.43 4.57 0.00 3.96 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.13 3.93 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 1.20 0.00 0.00 140 V 8.26 3.57 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 1.00 0.00 0.00 0.94 0.00 0.00 141 M 7.87 3.58 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.84 0.00 142 R 7.33 3.73 0.00 1.63 1.18 0.00 2.21 0.00 0.00 2.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.42 0.00 143 V 8.19 3.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.05 0.00 0.00 144 L 7.81 3.74 0.00 1.76 1.62 0.88 0.84 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 0.00 145 R 7.64 4.10 0.00 2.00 1.83 0.00 3.29 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 146 K 7.92 4.34 0.00 1.98 1.91 0.00 1.64 0.00 0.00 1.36 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.49 1.47 7.81 147 T 7.27 4.28 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 1.24 0.00 0.00 148 K 8.30 4.40 0.00 1.75 1.81 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 149 K 8.03 3.89 0.00 1.70 1.75 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.30 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.61 7.81 150 P 0.00 4.64 0.00 2.05 2.14 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.90 0.00 151 V 7.98 4.78 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 0.75 0.00 0.00 0.91 0.00 0.00 152 L 9.40 4.56 0.00 1.75 1.60 1.27 0.82 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 0.00 153 I 8.39 4.78 1.86 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 1.23 1.25 0.90 0.00 0.00 154 I 8.75 4.39 2.01 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 1.30 1.23 1.08 0.00 0.00 155 K 8.35 4.38 0.00 1.73 1.76 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.44 7.81 156 E 7.41 4.88 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 157 V 9.12 4.14 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 0.75 0.00 0.00 0.92 0.00 0.00 158 D 8.11 5.09 0.00 2.67 1.73 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 0.00 159 E 8.90 4.33 0.00 2.06 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 0.00 2.19 2.21 0.00 160 N 8.05 4.46 0.00 2.69 2.73 0.00 0.00 6.81 7.56 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 * Residues marked with a * may have inaccurate shift predictions.