NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4485 8.3344 115.2996 57.9248 64.1925 173.9315 -1 N 4.7965 7.8550 114.5830 52.5216 40.4513 173.9510 0 A 2.8572 9.0835 122.7632 54.9061 18.8640 180.0318 1 L 3.7180 7.4712 116.4864 57.7714 41.8064 179.4647 2 F 4.2474 7.8452 117.2390 60.7178 38.9304 177.7652 3 S 4.2246 8.0049 114.3450 61.7065 62.5779 176.9480 4 S 4.2251 7.9381 117.9511 61.4292 62.4417 176.7430 5 R 3.8525 8.2487 121.6863 59.4399 29.9041 177.9522 6 D 4.4463 8.2594 118.8372 57.7063 40.8201 179.1986 7 I 3.6885 7.8619 119.7119 64.3622 37.1810 178.0784 8 L 3.9475 8.2817 121.5088 58.4000 41.8984 178.8695 9 E 3.9837 8.5195 118.6405 59.4336 29.5149 179.5833 10 V 3.5812 7.7711 118.1738 65.8880 31.6067 177.8571 11 L 3.9716 8.2938 120.4923 58.2877 41.7164 178.8561 12 Q 4.0449 8.3629 117.4102 59.1498 28.6717 178.3795 13 D 4.4991 7.7698 119.0080 57.4507 41.1714 178.5953 14 I 3.9319 7.7194 119.8552 64.0471 36.9620 177.7859 15 H 4.3310 8.0164 117.6675 56.7955 29.6103 176.6521 15 E 3.9510 8.0164 119.6675 58.3955 30.5103 179.1521 18 T 4.2579 7.8926 106.9744 60.5392 70.5577 176.0959 19 G 3.7340 8.2439 108.6463 45.5556 0.0000 173.0356 20 E 4.6848 7.5255 119.1993 55.8767 31.3579 176.2375 21 T 4.3878 8.2951 117.8699 63.9990 69.4567 174.4805 22 V 5.0162 8.6382 118.7753 59.8421 35.6569 174.4811 23 A 5.0631 8.7578 123.1256 51.0964 22.8051 175.5717 24 I 4.8219 8.8286 120.6670 59.6989 39.6498 175.0167 25 A 5.0848 8.9410 127.1915 50.7625 23.2931 174.5355 26 T 4.9553 9.2319 113.6345 59.3360 71.7353 172.2233 27 K 4.9245 8.4838 121.0951 55.2369 35.0046 176.1508 28 N 4.7773 9.0421 120.9573 52.2182 41.2376 176.2596 29 D 4.3360 8.8958 129.1793 55.3169 41.0900 174.2298 30 I 4.2291 5.6384 109.1889 60.3446 38.2204 174.3578 31 Y 5.1597 7.7721 118.4972 56.4503 41.1206 174.5740 32 L 4.4873 8.6694 124.7232 54.4591 43.5141 175.6506 33 Q 4.5187 8.8368 126.8544 54.3996 31.8537 173.6744 34 Y 4.7930 8.4913 124.1741 57.8785 38.4049 175.3746 35 I 4.2580 8.9446 124.8947 63.2488 38.7912 176.2240 36 Q 4.6554 7.6915 120.2605 55.1060 32.3783 173.1336 37 I 4.9556 8.3402 125.7512 59.5546 41.0807 174.5063 38 I 4.3850 8.4236 127.2745 59.1999 39.5880 174.7413 39 E 4.4078 8.6857 128.4841 55.5225 30.2571 176.4307 40 S 4.4319 8.7424 120.4540 59.1149 62.9142 174.2665 41 V 4.1989 7.6905 115.8445 61.3816 31.9925 176.4769 42 H 4.4705 8.0082 117.6875 55.1783 29.3254 175.5555 43 A 3.9947 8.6855 125.1788 55.1036 18.3545 177.9741 44 L 4.3387 7.7293 119.1631 53.9124 42.1495 175.5766 45 R 4.5353 7.9833 121.2488 54.4777 32.6047 174.1624 46 F 4.5437 8.4854 117.1708 57.5797 39.1857 175.4230 47 H 4.6247 8.7787 123.6153 53.6658 28.5490 174.1082 48 V 3.5689 8.0793 124.6943 62.4569 31.5316 175.0954 49 D 4.6162 8.6335 127.9562 53.5631 41.4317 176.6554 50 E 4.1538 8.7705 126.9501 59.0350 29.8813 177.7467 51 N 4.3787 8.2090 116.0887 55.3154 39.1896 174.9700 52 A 4.1309 7.6799 121.4594 52.5404 18.9473 176.5015 53 I 4.4307 8.2433 123.3963 59.7492 38.7743 175.4672 54 R 4.6548 8.4835 123.1465 53.6023 31.0294 173.1327 55 P 4.7139 0.0000 0.0000 62.1495 32.2437 177.8948 56 L 4.1357 8.8238 123.4499 57.9822 42.0109 179.6212 57 T 4.3023 6.9882 111.3253 60.9857 67.6593 174.2492 *59 S 3.7427 7.7834 115.2793 58.5032 64.4094 174.9022 60 S 3.0096 7.6904 116.0533 61.1089 62.9879 175.4322 61 N 4.3343 8.0027 117.6154 56.1235 38.5551 176.1782 62 G 4.3407 7.4857 105.4655 48.0177 0.0000 177.0575 63 W 4.4275 7.2747 118.4329 56.5345 28.3841 176.7700 *65 L 4.0910 7.9491 116.3985 54.7344 42.4173 178.8705 *67 S 4.4634 8.1090 114.0676 58.1741 64.8192 173.4500 68 T 4.1843 7.3698 111.9028 61.7718 69.0510 174.4634 *70 N 4.5235 7.8370 118.6580 53.8183 39.9530 173.7422 71 D 4.3105 8.3208 120.0886 57.1013 40.9166 178.5263 72 K 3.7614 8.1856 119.6527 59.9230 32.1722 178.4212 73 A 4.0451 8.3138 120.4640 54.9113 18.1301 179.7958 74 I 3.6555 7.7415 118.6765 64.4173 37.2224 177.9094 75 D 4.2983 8.2216 119.0117 57.6154 41.0698 178.0529 76 N 4.3355 8.0710 116.7643 56.7017 38.4815 177.6041 77 T 3.8294 7.6695 116.6021 66.4939 68.4883 177.1204 78 V 3.5852 8.0349 120.3802 65.9493 31.3838 177.9929 79 R 3.9304 7.7088 116.5149 59.6455 30.1147 178.9785 80 R 4.0497 8.4769 117.5957 59.2549 30.0905 179.0368 81 A 3.9872 8.4423 120.9568 55.1913 18.2737 179.4544 82 N 4.3791 8.5870 115.8875 56.5670 38.4208 177.4979 83 T 3.9767 7.6039 109.8256 63.8259 68.8269 175.7417 84 I 4.2157 7.5635 122.4760 63.7201 38.2082 177.7162 85 T 4.0599 7.9404 110.3140 64.0362 68.7879 176.1003 86 Q 4.4406 8.1585 121.2682 57.1560 28.7517 177.6291 87 K 4.2849 7.7268 120.0272 58.1239 32.0274 176.9321 88 D 4.8169 7.5450 118.3235 53.7143 41.4971 176.7061 89 G 3.8884 8.1005 105.8661 45.9530 0.0000 173.7980 90 I 4.2503 7.0910 120.5799 59.0933 39.0496 175.2039 91 R 4.4135 7.5941 118.6594 55.3778 31.2487 174.3863 92 F 4.4781 8.5375 122.6051 56.5406 40.1427 175.2317 93 E 4.2234 8.7794 125.0575 55.7823 30.1641 177.5506 94 V 3.5104 8.9356 124.4839 65.5689 30.7981 177.1243 95 D 4.2246 7.6113 117.3576 57.3501 41.9681 177.7249 96 D 4.4490 8.2335 121.0640 53.4916 39.3768 176.6771 *99 A 4.1381 8.0076 125.5730 51.9748 21.1223 179.3263 100 R 3.6814 8.0819 115.7997 59.6134 29.9251 178.6638 101 I 3.6243 7.4312 118.8892 64.5397 37.1384 178.4981 102 R 3.8952 7.8086 118.3363 59.0775 29.8685 178.6996 103 Q 3.8545 8.0421 119.4426 59.1168 29.0759 178.5495 104 V 3.4156 7.7941 119.2313 65.9332 31.3614 177.7579 105 R 3.8575 7.6502 117.2432 59.7777 29.8993 177.5938 106 E 3.9891 7.8229 118.2129 59.3172 29.7880 178.5252 107 Q 4.0593 8.3113 118.6240 57.6565 28.8651 177.2432 108 G 4.0306 9.5444 109.2629 45.0865 0.0000 171.9555 109 Y 5.0224 6.4128 115.1893 56.2103 41.0292 173.4436 110 A 5.1614 9.3088 120.6493 50.4882 22.8744 175.2144 111 S 5.3312 8.9115 112.9551 57.4118 67.0145 172.8609 112 A 4.9376 8.7907 119.8317 51.0244 23.0686 175.0210 113 E 4.8767 8.8290 119.7328 55.5022 32.6602 176.2560 114 H 4.4436 9.4183 119.8919 56.5539 27.0578 174.6459 115 I 4.5653 7.4409 119.2061 59.1224 39.8560 173.8062 116 P 4.2851 0.0000 0.0000 63.6207 31.9556 176.1380 117 F 5.1895 7.6163 118.3733 55.1833 41.9737 174.4225 118 V 3.9381 8.7736 125.0130 64.9663 31.7070 176.0533 119 G 4.0498 9.8523 115.3965 44.9157 0.0000 172.5784 120 G 4.5376 8.2578 107.2589 44.8645 0.0000 173.2670 121 G 4.8995 9.0393 107.1962 44.8033 0.0000 171.8287 122 T 5.5436 8.8531 111.6629 60.2411 72.9587 172.7889 123 I 5.3202 8.7269 123.2023 60.2306 41.9565 173.9250 124 C 5.0988 9.3754 120.2630 57.2624 33.3937 172.9132 125 V 4.9064 8.1357 111.1953 59.4764 36.1992 174.4502 126 L 4.5726 8.4169 124.0993 53.9564 42.7690 176.7332 127 L 4.2514 8.3491 126.4144 54.2689 42.1089 175.6541 128 P 4.4086 0.0000 0.0000 63.5968 31.0042 176.4729 *130 T 4.1062 7.6241 108.4488 61.5015 69.8445 172.7018 131 I 4.0633 7.8515 122.6112 60.3012 39.7240 176.1363 132 Q 2.5211 9.6577 127.3641 56.7522 26.4340 175.8062 133 G 4.0474 8.0095 104.7289 46.1629 0.0000 174.3155 134 Q 4.2518 7.5326 119.6659 54.1887 29.9236 174.0399 135 P 4.6456 0.0000 0.0000 62.8087 32.3699 175.1291 136 V 4.7255 7.9489 117.8702 61.7936 35.4043 174.2784 137 T 5.2744 8.1201 120.9531 59.6678 70.9967 172.4869 *139 G 4.1931 8.5683 106.0194 46.3398 0.0000 171.6510 140 L 5.4634 9.0162 119.6633 53.8579 43.7624 175.8377 141 G 4.7129 9.0809 107.0124 45.3513 0.0000 172.4848 142 G 4.6435 8.8944 106.7207 46.5608 0.0000 172.2019 143 A 4.4973 8.1133 123.0023 51.6194 19.4247 178.3915 144 L 3.9846 9.0653 125.0590 58.7029 42.0650 179.5535 145 D 4.4059 8.0486 118.0130 57.4070 40.5844 178.6282 146 R 3.9078 7.8572 117.8421 59.1764 30.4707 178.3456 147 I 3.9861 7.6126 119.2710 64.4388 37.0297 178.4187 148 K 4.0034 8.3758 118.4627 59.3080 31.9996 178.6832 149 Q 4.2888 8.0264 115.2921 57.0771 29.2125 176.0928 150 N 4.6428 7.3215 117.1736 52.8715 39.5480 175.2749 151 Y 3.9638 8.0112 120.5269 61.2432 38.5452 177.9833 152 D 4.2924 8.1737 118.7188 57.3857 41.0102 178.7522 153 R 3.8607 7.8336 118.4557 59.6171 30.1543 177.9284 154 Y 4.2762 8.1929 116.8379 61.0527 37.8362 178.1313 155 L 3.6766 7.8659 121.4807 58.1380 42.0688 178.4295 156 E 3.8381 8.1635 119.0347 59.5338 29.5873 178.7396 157 L 4.0011 8.0330 118.7447 57.7766 41.6314 179.7061 158 L 3.9231 7.8272 118.7302 57.9415 41.5266 179.4842 159 L 4.0131 8.0402 118.9965 57.8709 41.5218 179.0969 160 N 4.5140 8.4508 116.9531 56.0869 38.6550 177.3256 161 G 3.6064 7.7417 106.8149 47.4774 0.0000 175.5407 162 V 3.7697 7.7774 120.5774 66.0504 31.0644 178.0496 163 Q 4.0159 7.8362 117.6616 59.2773 28.3613 179.0872 164 Q 4.1256 8.1130 117.5854 58.0606 29.0355 177.7767 165 L 4.5348 7.7100 118.3527 54.4781 42.1862 178.0657 166 K 4.0671 7.4968 117.9500 58.3953 32.2691 177.0986 167 K 4.3869 7.8148 116.5213 56.2015 32.7957 176.1769 168 S 4.6889 8.1693 116.6933 56.9726 63.9702 174.1165 169 D 4.6179 8.5004 124.5386 54.3309 41.3539 176.3413 170 S 4.7703 8.3941 117.9177 58.6862 63.9223 173.5452 171 F 4.9753 8.3821 115.8808 55.6655 41.4836 172.9825 172 H 5.0326 8.9198 120.1820 54.3185 28.8240 173.7513 173 Q 4.2218 8.0858 120.5106 55.8121 29.7807 175.0966 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 S 8.33 4.45 0.00 3.87 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 -1 N 7.86 4.80 0.00 2.84 2.72 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 0 A 9.08 2.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 L 7.47 3.72 0.00 1.34 1.39 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 2 F 7.85 4.25 0.00 3.28 2.97 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 3 S 8.00 4.22 0.00 3.94 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 4 S 7.94 4.23 0.00 3.89 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 5 R 8.25 3.85 0.00 1.89 2.13 0.00 3.25 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 6 D 8.26 4.45 0.00 2.98 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 7 I 7.86 3.69 2.08 0.00 0.00 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 1.47 0.92 0.96 0.00 0.00 8 L 8.28 3.95 0.00 1.73 1.82 0.92 0.87 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 9 E 8.52 3.98 0.00 2.22 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 2.34 2.42 0.00 10 V 7.77 3.58 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 1.00 0.00 0.00 1.00 0.00 0.00 11 L 8.29 3.97 0.00 1.87 1.87 0.94 0.64 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 12 Q 8.36 4.04 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 13 D 7.77 4.50 0.00 2.80 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 I 7.72 3.93 1.84 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 1.37 0.89 0.81 0.00 0.00 15 H 8.02 4.33 0.00 3.16 3.40 0.00 5.61 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.02 3.95 0.00 1.93 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 2.30 2.49 0.00 18 T 7.89 4.26 3.47 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 0.91 0.00 0.00 19 G 8.24 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.53 4.68 0.00 1.79 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 2.37 2.09 0.00 21 T 8.30 4.39 4.37 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 1.24 0.00 0.00 22 V 8.64 5.02 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 0.72 0.00 0.00 0.95 0.00 0.00 23 A 8.76 5.06 1.22 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 0.00 0.00 24 I 8.83 4.82 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.04 0.94 0.00 0.00 25 A 8.94 5.08 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 26 T 9.23 4.96 4.18 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 1.16 0.00 0.00 27 K 8.48 4.92 0.00 1.74 1.71 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.68 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.37 7.81 28 N 9.04 4.78 0.00 2.92 2.77 0.00 0.00 6.90 8.52 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 29 D 8.90 4.34 0.00 2.87 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 0.00 0.00 0.00 30 I 5.64 4.23 1.56 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.77 0.00 0.00 31 Y 7.77 5.16 0.00 3.02 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 32 L 8.67 4.49 0.00 1.46 1.35 0.71 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.84 4.52 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 34 Y 8.49 4.79 0.00 2.97 2.85 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 35 I 8.94 4.26 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.97 0.00 0.00 36 Q 7.69 4.66 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 37 I 8.34 4.96 1.76 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.63 0.76 0.00 0.00 38 I 8.42 4.39 1.70 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.98 0.54 0.00 0.00 39 E 8.69 4.41 0.00 1.92 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 2.21 2.23 0.00 40 S 8.74 4.43 0.00 4.00 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 41 V 7.69 4.20 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 0.73 0.00 0.00 0.80 0.00 0.00 42 H 8.01 4.47 0.00 3.14 3.21 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.69 3.99 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 0.00 0.00 0.00 0.00 0.00 44 L 7.73 4.34 0.00 1.57 1.57 0.87 0.78 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 45 R 7.98 4.54 0.00 1.88 1.84 0.00 3.11 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 46 F 8.49 4.54 0.00 3.10 2.94 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 47 H 8.78 4.62 0.00 3.07 3.28 0.00 5.90 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.08 3.57 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.64 0.00 0.00 49 D 8.63 4.62 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.77 4.15 0.00 2.02 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 0.00 2.36 2.30 0.00 51 N 8.21 4.38 0.00 2.71 2.92 0.00 0.00 7.17 8.01 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 52 A 7.68 4.13 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 53 I 8.24 4.43 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.56 0.00 0.00 54 R 8.48 4.65 0.00 1.83 2.05 0.00 3.07 0.00 0.00 3.44 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 55 P 0.00 4.71 0.00 2.13 1.95 0.00 3.67 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 56 L 8.82 4.14 0.00 1.63 1.68 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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T 7.37 4.18 4.22 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 1.20 0.00 0.00 *70 N 7.84 4.52 0.00 3.03 3.03 0.00 0.00 6.12 8.07 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 71 D 8.32 4.31 0.00 2.69 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 72 K 8.19 3.76 0.00 1.85 2.01 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.59 7.81 73 A 8.31 4.05 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 74 I 7.74 3.66 1.96 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 1.38 0.71 0.88 0.00 0.00 75 D 8.22 4.30 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.34 0.00 2.81 2.84 0.00 0.00 7.10 7.08 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 77 T 7.67 3.83 4.40 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 86 Q 8.16 4.44 0.00 2.28 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 87 K 7.73 4.28 0.00 1.92 1.93 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.65 7.81 88 D 7.55 4.82 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.10 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 90 I 7.09 4.25 1.89 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 1.60 1.15 0.55 0.00 0.00 91 R 7.59 4.41 0.00 1.80 1.78 0.00 2.99 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.54 0.00 92 F 8.54 4.48 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.78 4.22 0.00 2.01 1.88 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 2.40 2.24 0.00 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7.62 4.11 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 1.17 0.00 0.00 131 I 7.85 4.06 1.60 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 -0.09 0.22 0.54 0.00 0.00 132 Q 9.66 2.52 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 133 G 8.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.53 4.25 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.59 0.00 135 P 0.00 4.65 0.00 2.18 2.14 0.00 3.59 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 2.03 1.92 0.00 136 V 7.95 4.73 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 1.08 0.00 0.00 0.87 0.00 0.00 137 T 8.12 5.27 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 1.27 0.00 0.00 *139 G 8.57 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 9.02 5.46 0.00 1.68 1.64 0.87 0.26 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 0.00 141 G 9.08 4.71 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 0.00 0.00 0.00 142 G 8.89 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.11 4.50 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.07 3.98 0.00 1.76 1.70 0.99 1.00 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 0.00 145 D 8.05 4.41 0.00 2.72 2.69 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 0.00 0.00 0.00 0.00 146 R 7.86 3.91 0.00 1.78 2.11 0.00 2.93 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 147 I 7.61 3.99 2.15 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.37 1.12 0.00 0.00 148 K 8.38 4.00 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.46 7.81 149 Q 8.03 4.29 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 150 N 7.32 4.64 0.00 1.67 1.54 0.00 0.00 6.46 7.81 0.00 0.00 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 Y 8.01 3.96 0.00 3.13 2.94 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 0.00 152 D 8.17 4.29 0.00 2.74 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 0.00 153 R 7.83 3.86 0.00 1.90 2.01 0.00 3.26 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 154 Y 8.19 4.28 0.00 2.97 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 0.00 155 L 7.87 3.68 0.00 1.16 1.50 0.32 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.16 3.84 0.00 2.19 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 2.30 2.34 0.00 157 L 8.03 4.00 0.00 1.88 1.69 0.96 0.57 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 0.00 158 L 7.83 3.92 0.00 1.79 1.69 0.91 0.62 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 0.00 159 L 8.04 4.01 0.00 1.79 1.72 0.86 0.72 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 0.00 160 N 8.45 4.51 0.00 2.84 2.93 0.00 0.00 7.03 7.35 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 0.00 161 G 7.74 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 0.00 0.00 0.00 162 V 7.78 3.77 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 1.04 0.00 0.00 1.01 0.00 0.00 163 Q 7.84 4.02 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 164 Q 8.11 4.13 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 165 L 7.71 4.53 0.00 1.72 1.71 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.50 4.07 0.00 1.77 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.67 7.81 167 K 7.81 4.39 0.00 1.74 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.44 7.81 168 S 8.17 4.69 0.00 3.94 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 0.00 169 D 8.50 4.62 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.77 0.00 3.78 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 0.00 171 F 8.38 4.98 0.00 3.11 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 0.00 172 H 8.92 5.03 0.00 3.17 3.27 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 8.09 4.22 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.