NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7738 8.3549 109.7412 45.1421 0.0000 176.2190 *2 K 4.4541 9.0095 124.9994 56.3584 34.3453 174.6601 3 I 5.0765 9.3933 126.5636 59.4948 39.7050 174.5009 4 A 5.4156 9.2349 129.6638 50.2591 21.6460 174.9375 5 L 5.1450 9.2223 124.6442 53.4979 44.5497 175.2130 6 I 5.1279 8.9529 126.7089 59.6453 40.7948 174.4523 7 I 4.9443 8.7669 127.9339 59.4321 40.4886 175.5915 8 E 4.4642 8.7209 124.6625 54.5700 31.8155 176.7763 9 N 4.3696 8.9284 116.6025 55.8930 37.2787 177.6570 10 S 4.2071 8.4479 112.7892 60.3141 63.3580 174.8726 11 Q 4.5261 8.0734 117.7493 55.2589 29.5580 176.8602 12 A 4.0554 7.8889 123.7144 55.2932 18.3985 180.4046 13 A 4.1199 7.9210 116.9832 54.3589 18.8314 178.0659 14 K 4.3188 8.2090 114.7239 56.4265 33.0819 177.9199 15 N 4.1182 8.0276 118.5779 56.7719 38.7349 176.3618 16 A 4.0797 7.9809 121.4306 55.2328 18.5183 179.6100 17 V 3.6050 7.7442 116.2539 66.1345 31.6884 178.3280 18 V 3.7114 7.8663 118.0636 66.3129 31.3302 177.5326 19 H 4.2669 8.7864 118.5049 59.1110 29.6489 176.9384 20 E 3.8605 8.4719 121.1028 59.1898 29.0235 178.6526 21 A 4.1376 8.1413 120.9342 55.0635 18.3790 179.4456 22 L 3.6116 8.3019 119.2149 58.4337 42.2129 179.3459 23 T 3.8208 8.1019 109.9348 64.9764 68.4870 176.5783 24 T 3.8695 7.7789 117.9091 66.2261 68.1497 176.0667 25 V 3.9744 7.6257 118.6070 65.5045 31.9647 177.9987 26 A 4.1697 8.2486 120.7437 54.9563 18.1714 179.4752 27 E 4.1164 8.1006 118.4699 58.6504 29.4344 177.6414 28 P 4.3610 0.0000 0.0000 64.3185 31.5728 176.8671 29 L 4.2410 7.1400 114.1642 54.7124 41.7781 177.5224 30 G 3.8545 8.2497 107.7933 45.2345 0.0000 173.3400 31 H 4.8014 7.7667 117.0943 54.6093 31.1819 173.8655 32 K 4.4926 8.4777 120.6297 54.6423 34.7577 174.5494 33 V 4.8027 8.1068 126.7122 61.1684 33.6972 174.5584 34 F 4.6603 9.7569 126.5810 55.7384 41.6933 174.1791 35 N 4.9900 8.8551 124.1209 52.7937 38.6653 173.8334 36 Y 4.3299 9.1117 123.7873 57.6939 38.7091 176.9854 37 G 2.7395 7.9571 108.5332 44.8795 0.0000 174.2877 *39 Y 4.8561 8.1786 115.2353 57.7590 39.8278 175.6710 40 T 4.7161 8.1098 106.9730 59.6667 72.0087 174.6090 41 A 4.0569 8.5872 124.6368 54.7823 18.4686 178.3109 42 E 4.4399 7.7636 113.0587 56.1160 29.9418 176.3108 43 D 4.5104 7.6679 119.6929 54.5770 41.3607 177.0899 44 K 3.9758 8.8280 123.0134 59.1032 32.2533 177.1119 45 A 4.3250 7.7307 122.0923 51.0678 17.4224 175.5784 46 S 4.6840 8.1351 115.3878 57.7992 64.0115 172.9549 47 L 4.9610 8.4255 124.9606 53.1774 45.1573 175.6532 48 T 4.9986 8.1765 111.8920 59.8127 71.1229 174.1181 49 Y 4.2664 8.3914 118.8248 59.6055 38.4560 177.9351 50 V 3.6614 6.5728 118.1226 63.5066 31.1780 177.2144 *52 N 4.6501 8.3851 117.5243 52.8222 40.6538 177.1424 53 G 3.5417 7.8590 104.8335 47.5829 0.0000 175.5586 54 L 3.8858 7.8621 122.9602 57.6955 42.0484 178.7373 55 L 3.7850 7.8207 119.5366 58.1315 42.0859 178.3722 56 A 3.9911 8.2772 121.1144 55.3781 18.2476 179.9240 57 G 3.5060 7.9001 103.8143 47.7682 0.0000 176.1097 58 I 3.7401 7.6865 122.1437 64.2651 37.1417 178.6037 59 L 4.1080 8.1120 120.0762 57.6507 41.2896 179.6667 60 L 4.1383 7.9851 118.9015 58.0296 41.4861 179.3552 61 N 4.4082 8.1213 114.9984 55.6164 38.7389 176.8376 62 S 4.5135 8.2130 114.5265 58.4207 63.4827 175.8979 63 G 3.8757 7.6896 110.3384 45.2035 0.0000 174.3224 64 A 4.2387 7.8811 121.3772 53.6484 18.5754 177.9099 65 A 4.7207 7.7183 116.7006 50.6684 22.1218 175.4829 66 D 4.8097 9.0199 120.2337 55.6201 42.1472 176.8538 67 F 5.0656 8.0492 119.6033 56.6927 43.2718 172.9332 68 V 4.9662 8.3320 124.9538 61.0737 34.5777 174.1394 69 V 4.9107 9.4832 128.0681 61.8944 33.5392 173.7000 70 T 5.3346 9.1606 124.6485 61.3568 70.9423 172.2328 71 G 4.3112 9.0009 106.7125 44.2994 0.0000 172.3100 *73 G 3.9995 8.3581 107.6097 45.1099 0.0000 174.7124 74 T 4.0805 7.9990 107.3608 60.6302 69.5973 174.2114 75 G 3.5038 7.7623 110.0231 45.8764 0.0000 174.5006 *77 G 3.3343 7.8140 108.5647 45.4491 0.0000 175.3471 78 S 4.3383 7.1390 114.5663 58.6032 62.2112 176.4860 *80 L 4.1857 8.1809 121.3985 54.9125 43.7125 179.3559 81 A 4.1002 8.1803 119.9374 55.0669 18.0329 179.5530 82 A 3.9137 8.1140 118.5487 55.4041 18.6313 179.3487 83 N 4.3991 7.4683 112.7071 54.9275 38.6131 176.5101 84 A 4.1783 7.3400 121.9504 50.9497 19.3541 175.2435 *86 P 3.8760 0.0000 0.0000 65.1847 32.3922 176.9955 87 G 3.9913 8.5841 107.1727 46.0300 0.0000 173.0146 88 V 4.2309 6.7657 117.8542 60.7086 33.1343 175.1842 89 F 4.8357 9.4418 125.8447 55.9184 41.4959 172.8793 90 C 5.0671 9.1772 124.6623 57.4228 32.9540 173.6563 91 G 3.4986 8.7182 114.1215 45.2534 0.0000 172.1933 92 L 5.0044 8.2112 123.2444 53.2863 43.2820 175.4134 93 V 4.2419 8.0057 126.3627 61.5428 32.9613 174.2798 94 I 4.2009 8.8059 127.0483 62.4701 39.1369 175.6223 95 D 5.0264 8.0205 118.0080 50.5582 43.4100 174.5941 96 P 4.3850 0.0000 0.0000 65.2218 31.1602 179.0644 97 T 3.9780 7.9730 114.9242 66.3901 68.4187 176.1476 98 D 4.3785 8.7314 120.9699 57.4057 40.8827 178.8409 99 A 4.0153 8.0295 120.9263 55.1289 18.4222 179.0735 100 F 4.0467 8.4631 119.4791 61.8210 39.3744 177.4639 101 L 3.6909 8.2538 118.4822 57.4788 41.2981 179.1111 102 F 4.6241 8.0509 122.5079 60.8667 39.3034 177.5485 103 G 3.4232 8.1512 105.0948 47.4087 0.0000 175.5256 104 Q 4.1573 7.6529 119.8613 57.5912 28.7491 177.9875 105 I 3.8776 7.9881 119.8452 63.2854 38.0547 177.0782 106 N 4.4653 7.7423 115.4279 52.0560 40.3226 174.2914 107 D 4.0161 7.7390 119.4364 54.8502 40.0466 172.4252 108 G 3.9961 6.3237 107.7400 45.4012 0.0000 172.3200 109 N 5.0055 8.5594 112.9352 52.0776 38.5399 173.8783 110 A 4.4706 7.3394 119.1746 51.2006 22.6837 175.7970 111 I 4.8895 8.8240 113.0790 59.2203 41.5884 174.2154 112 S 5.4003 9.3695 118.4068 54.7550 66.3113 170.5742 *114 P 4.1327 0.0000 0.0000 62.9004 31.6219 175.9118 115 Y 4.3969 8.5110 119.3946 58.1720 39.0135 175.6430 116 S 4.4964 8.0105 113.3497 59.7829 65.3407 174.0330 117 K 4.1121 8.0775 121.1728 57.7019 31.9738 177.2538 118 G 3.9486 8.9600 114.2852 45.6897 0.0000 173.7352 119 F 4.4449 7.9101 122.7305 56.5552 38.8534 175.9078 120 G 4.2059 7.6131 121.0146 43.6569 0.0000 170.5262 121 W 4.5797 8.8534 123.6422 58.5572 29.5772 175.8020 122 A 3.7242 9.0333 123.2173 52.9349 16.1280 178.9959 123 A 3.7892 7.7280 121.6501 55.5210 17.5414 180.2995 124 E 4.0780 7.8911 115.5188 59.1931 29.8271 179.0589 125 L 4.1026 7.7822 120.3045 57.3313 41.7155 178.6319 126 N 4.2830 7.9147 116.7608 56.4075 38.8232 176.7181 127 L 3.6655 7.6743 120.0643 57.7384 41.6097 179.5093 128 Q 4.0694 7.6326 116.8144 59.0028 28.4321 178.4911 129 D 4.3198 7.6617 118.7765 57.3597 41.2862 178.7115 130 V 3.6598 7.9515 118.9707 66.3408 31.4540 177.7022 131 Y 4.1615 7.7698 116.7011 61.1742 37.1836 178.7962 132 R 4.0347 8.4838 119.3300 59.0970 29.8763 179.1469 133 K 4.3363 7.7352 117.3919 58.8045 32.1571 178.7450 134 L 4.1590 7.4441 117.8843 55.8827 41.9843 177.3369 135 F 4.9991 7.8390 114.3184 56.9491 39.6618 174.5569 136 D 4.7747 7.9969 121.4826 53.6575 43.0038 176.3662 137 G 4.1116 8.9074 111.2015 44.9633 0.0000 172.4694 138 E 4.0458 8.3983 118.6283 56.5046 29.9180 177.4551 139 R 4.3820 8.4211 121.9129 55.4402 32.0045 175.7892 140 G 3.8919 8.6513 105.6911 46.8737 0.0000 174.9356 141 L 4.1314 8.4034 119.1811 54.3771 42.1291 177.6401 142 G 4.1351 9.4115 106.3463 46.1745 0.0000 172.8715 143 Y 4.5013 7.9139 120.7332 55.6173 41.8345 172.9068 144 P 3.4031 0.0000 0.0000 62.3429 32.4366 177.9366 145 R 4.0016 8.4276 122.5607 61.7996 28.9084 179.5545 146 E 4.3747 8.0241 115.4014 57.9525 30.0388 177.9977 147 R 4.4701 8.1170 118.5421 55.6257 30.5813 177.0358 148 A 4.0713 8.0148 122.7358 55.6699 18.6080 179.7815 149 E 4.1246 8.0603 116.1920 59.3567 29.6100 179.7162 150 I 3.8815 7.0941 114.6217 62.4032 36.6822 177.6166 *152 R 4.1796 8.0693 122.9550 56.3694 31.7707 177.7453 153 K 3.9843 8.1897 117.2432 59.6208 31.9032 179.1754 154 N 4.3928 8.3419 116.6880 56.2202 38.3691 177.7231 155 R 3.8970 7.7822 119.6292 58.9272 30.0887 179.2843 156 G 3.5591 7.7877 105.3004 47.6373 0.0000 175.8464 157 I 3.7373 7.7575 122.2487 63.9253 37.0890 178.2199 158 L 3.9725 8.0789 121.3587 58.3551 41.9511 179.2844 159 R 4.0639 7.8907 117.9274 59.3747 29.8082 178.9305 160 E 4.0776 8.1429 118.3621 58.9331 29.3582 179.0408 161 L 3.9712 7.9984 120.6802 58.0419 42.1975 179.0142 162 K 4.1763 8.2446 120.9892 59.0930 31.9598 178.4653 163 D 4.5733 8.1021 118.0637 57.3259 40.7283 178.4256 164 A 4.1826 7.5580 121.0867 54.7334 18.6268 179.3467 165 S 4.2514 7.9107 112.4130 59.9030 63.6951 174.1291 166 C 4.6264 7.8578 119.3355 57.7507 29.4868 173.8912 167 R 4.3577 8.2234 122.5612 55.3779 31.7162 179.2575 168 D 4.7259 8.0918 118.3564 52.7940 38.9632 178.5376 *170 L 4.1178 8.6331 115.4817 55.1625 43.7559 178.7966 171 T 3.7842 7.7893 115.1814 66.4192 68.2478 176.8086 172 V 3.5224 7.6953 120.1599 66.0835 31.3730 178.0625 173 L 3.9859 7.6399 116.7643 57.7838 41.5350 179.2344 174 K 4.0295 8.0574 118.7272 57.4729 32.1041 177.7449 175 T 4.4484 7.1815 107.0517 61.0577 70.0972 174.8382 176 V 3.8287 7.4921 122.0460 60.7042 32.4322 175.9125 177 D 4.3383 8.4757 119.5136 55.0569 42.0304 176.9817 178 Q 4.1755 8.6967 125.5043 58.3036 29.0229 178.1232 179 D 4.3282 8.1205 120.2056 56.9463 40.9867 178.0575 180 L 3.8769 8.6704 121.3106 58.0762 41.7124 178.8553 181 L 3.8690 7.8164 120.1631 58.2886 41.8319 179.1641 182 R 3.8798 7.7902 116.6275 59.0812 30.1392 178.6254 183 A 4.0507 8.1124 120.5057 55.0030 18.1421 179.5434 184 A 3.9668 7.8455 118.7028 54.1042 18.2733 178.3275 185 I 3.5216 6.8850 107.4750 60.3769 37.6605 176.9080 186 A 3.9886 7.5975 123.2437 53.3364 18.8155 178.9631 187 G 3.9685 7.4892 106.2525 45.2805 0.0000 174.7923 188 E 4.0283 9.0563 120.2164 58.4539 29.8223 177.9485 189 K 4.5086 8.0564 116.6076 56.0418 33.1130 177.4136 190 F 4.1447 8.5919 122.9257 61.4913 39.2906 176.8696 191 A 4.3559 8.3922 119.7807 55.5273 18.0273 179.0922 192 E 3.9828 8.1622 116.0122 59.2126 29.8538 178.3491 193 L 4.2254 7.6805 118.1949 56.9855 42.1255 178.6916 194 F 4.0861 8.1770 121.0260 61.1771 39.5051 176.9677 195 Y 3.9805 7.3515 115.6683 60.6120 37.5949 176.8305 196 P 4.5521 0.0000 0.0000 63.9633 32.0176 176.3095 197 N 4.7579 7.7532 114.5736 52.5818 40.2485 173.7739 198 C 4.1305 7.0510 118.6376 59.0540 31.7214 173.2143 199 K 4.1853 8.8383 126.2302 56.5398 32.8374 176.3872 200 D 4.7547 7.6075 118.8202 52.6168 42.1153 175.8989 201 D 4.4634 8.6021 128.2310 57.1319 40.9253 178.5167 202 A 4.0892 8.3423 121.6615 55.1021 18.3662 179.8248 203 I 3.8181 8.0666 117.7139 64.4445 37.3897 178.2554 204 A 4.5657 8.3194 121.6556 55.5242 18.2940 179.3948 205 N 4.3668 8.7268 115.3792 56.6525 38.4311 177.0395 206 Y 4.0110 8.2214 120.8858 60.7402 38.9415 178.0988 207 L 4.0728 8.2798 119.9524 57.9043 41.7267 179.7047 208 R 4.1078 8.4064 118.0089 58.6364 29.7775 178.6969 209 S 4.1990 7.6084 112.8097 60.1882 63.2362 175.6340 210 L 3.9902 7.2925 121.7449 55.5049 41.6256 176.3457 211 D 4.8409 7.8647 123.5078 54.4520 41.6000 174.9735 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 0 G 8.35 3.77 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 0.00 0.00 0.00 *2 K 9.01 4.45 0.00 1.80 1.89 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.70 1.58 7.81 3 I 9.39 5.08 1.74 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.71 0.92 0.00 0.00 4 A 9.23 5.42 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 5 L 9.22 5.14 0.00 1.83 1.63 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.95 5.13 1.90 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 1.22 0.97 0.97 0.00 0.00 7 I 8.77 4.94 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.85 0.00 0.00 8 E 8.72 4.46 0.00 2.41 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 0.00 2.46 2.58 0.00 9 N 8.93 4.37 0.00 2.97 3.22 0.00 0.00 7.18 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 10 S 8.45 4.21 0.00 4.04 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 11 Q 8.07 4.53 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 12 A 7.89 4.06 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 13 A 7.92 4.12 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 14 K 8.21 4.32 0.00 1.68 1.56 0.00 1.23 0.00 0.00 1.17 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.25 7.81 15 N 8.03 4.12 0.00 2.69 2.89 0.00 0.00 7.00 8.24 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 16 A 7.98 4.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.74 3.61 2.28 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 1.21 0.00 0.00 1.01 0.00 0.00 18 V 7.87 3.71 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 1.03 0.00 0.00 0.50 0.00 0.00 19 H 8.79 4.27 0.00 3.31 3.47 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.47 3.86 0.00 2.11 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 2.34 2.34 0.00 21 A 8.14 4.14 1.66 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 0.00 0.00 22 L 8.30 3.61 0.00 1.69 1.84 0.26 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.10 3.82 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 24 T 7.78 3.87 4.48 0.00 0.00 0.00 0.00 0.00 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 25 V 7.63 3.97 2.35 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 1.25 0.00 0.00 1.11 0.00 0.00 26 A 8.25 4.17 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.12 0.00 2.17 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 2.25 2.14 0.00 28 P 0.00 4.36 0.00 2.05 2.10 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 29 L 7.14 4.24 0.00 1.86 1.65 1.17 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.25 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.77 4.80 0.00 3.07 3.08 0.00 5.57 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.48 4.49 0.00 1.77 1.70 0.00 1.64 0.00 0.00 1.88 0.00 0.00 2.36 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.46 1.06 7.81 33 V 8.11 4.80 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 0.96 0.00 0.00 0.81 0.00 0.00 34 F 9.76 4.66 0.00 3.16 2.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.11 3.91 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 83 N 7.47 4.40 0.00 2.75 2.85 0.00 0.00 7.07 7.23 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 84 A 7.34 4.18 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 *86 P 0.00 3.88 0.00 2.21 2.30 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.14 0.00 87 G 8.58 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 0.00 0.00 0.00 88 V 6.77 4.23 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 0.76 0.00 0.00 0.91 0.00 0.00 89 F 9.44 4.84 0.00 2.98 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 90 C 9.18 5.07 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.08 4.11 0.00 1.70 1.73 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.39 7.81 118 G 8.96 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 0.00 0.00 0.00 119 F 7.91 4.44 0.00 3.07 3.02 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 0.00 120 G 7.61 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 0.00 0.00 0.00 121 W 8.85 4.58 0.00 3.21 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 0.00 122 A 9.03 3.72 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 0.00 123 A 7.73 3.79 0.18 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 0.00 0.00 124 E 7.89 4.08 0.00 2.25 2.30 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 2.37 2.37 0.00 125 L 7.78 4.10 0.00 1.84 1.72 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 126 N 7.91 4.28 0.00 2.76 2.90 0.00 0.00 7.24 6.66 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 0.00 127 L 7.67 3.67 0.00 1.91 1.38 1.27 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.63 4.07 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 129 D 7.66 4.32 0.00 2.78 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 0.00 130 V 7.95 3.66 1.90 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 0.95 0.00 0.00 0.88 0.00 0.00 131 Y 7.77 4.16 0.00 3.26 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 0.00 132 R 8.48 4.03 0.00 2.03 2.03 0.00 3.15 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 133 K 7.74 4.34 0.00 1.92 1.97 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.89 7.81 134 L 7.44 4.16 0.00 0.39 0.67 0.77 0.90 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 0.00 135 F 7.84 5.00 0.00 3.02 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 0.00 136 D 8.00 4.77 0.00 2.83 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 0.00 137 G 8.91 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 0.00 138 E 8.40 4.05 0.00 2.00 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 2.34 2.37 0.00 139 R 8.42 4.38 0.00 1.78 2.03 0.00 3.71 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 140 G 8.65 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 0.00 141 L 8.40 4.13 0.00 1.83 1.74 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 142 G 9.41 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 0.00 0.00 0.00 143 Y 7.91 4.50 0.00 3.01 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 0.00 144 P 0.00 3.40 0.00 2.17 1.52 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.87 0.00 145 R 8.43 4.00 0.00 1.81 1.96 0.00 3.25 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 146 E 8.02 4.37 0.00 2.07 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 2.21 2.30 0.00 147 R 8.12 4.47 0.00 1.87 1.93 0.00 3.14 0.00 0.00 3.16 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 148 A 8.01 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.06 4.12 0.00 1.98 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 2.38 2.33 0.00 150 I 7.09 3.88 2.01 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 1.17 0.64 0.90 0.00 0.00 *152 R 8.07 4.18 0.00 1.91 2.09 0.00 3.30 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 153 K 8.19 3.98 0.00 2.08 1.82 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.35 7.81 154 N 8.34 4.39 0.00 2.77 2.84 0.00 0.00 7.05 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 0.00 155 R 7.78 3.90 0.00 1.90 1.81 0.00 3.04 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 156 G 7.79 3.56 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 0.00 157 I 7.76 3.74 1.98 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 1.63 1.08 0.91 0.00 0.00 158 L 8.08 3.97 0.00 1.78 1.72 1.02 0.95 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 0.00 159 R 7.89 4.06 0.00 2.01 1.99 0.00 3.13 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.56 0.00 160 E 8.14 4.08 0.00 2.19 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 2.33 2.47 0.00 161 L 8.00 3.97 0.00 1.87 1.90 0.94 0.15 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 0.00 162 K 8.24 4.18 0.00 2.05 1.97 0.00 1.62 0.00 0.00 1.19 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.32 7.81 163 D 8.10 4.57 0.00 2.89 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 0.00 164 A 7.56 4.18 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 7.91 4.25 0.00 4.03 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 0.00 166 C 7.86 4.63 0.00 2.89 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 0.00 167 R 8.22 4.36 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 168 D 8.09 4.73 0.00 2.80 2.47 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 *170 L 8.63 4.12 0.00 1.74 1.90 0.83 0.73 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 0.00 171 T 7.79 3.78 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 1.17 0.00 0.00 172 V 7.70 3.52 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 0.98 0.00 0.00 0.89 0.00 0.00 173 L 7.64 3.99 0.00 1.56 1.67 0.97 0.88 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 0.00 174 K 8.06 4.03 0.00 1.67 1.72 0.00 1.44 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.47 0.96 7.81 175 T 7.18 4.45 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 1.19 0.00 0.00 176 V 7.49 3.83 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 0.73 0.00 0.00 0.90 0.00 0.00 177 D 8.48 4.34 0.00 2.70 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 0.00 178 Q 8.70 4.18 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 179 D 8.12 4.33 0.00 2.85 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 0.00 180 L 8.67 3.88 0.00 1.65 1.83 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.82 3.87 0.00 1.80 1.77 0.85 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 182 R 7.79 3.88 0.00 1.92 1.91 0.00 3.18 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 183 A 8.11 4.05 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 0.00 184 A 7.85 3.97 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 0.00 185 I 6.88 3.52 0.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.55 0.15 0.00 0.00 186 A 7.60 3.99 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 0.00 187 G 7.49 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 9.06 4.03 0.00 2.12 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 2.40 2.32 0.00 189 K 8.06 4.51 0.00 1.86 1.80 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.17 7.81 190 F 8.59 4.14 0.00 3.26 3.26 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 0.00 191 A 8.39 4.36 1.63 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 0.00 0.00 192 E 8.16 3.98 0.00 2.01 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 2.29 2.41 0.00 193 L 7.68 4.23 0.00 1.14 1.33 0.34 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.18 4.09 0.00 1.96 1.90 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 0.00 195 Y 7.35 3.98 0.00 3.23 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 0.00 196 P 0.00 4.55 0.00 2.04 2.11 0.00 3.56 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 2.21 2.14 0.00 197 N 7.75 4.76 0.00 2.51 2.52 0.00 0.00 6.52 7.22 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 0.00 198 C 7.05 4.13 0.00 1.62 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 0.00 0.00 0.00 0.00 199 K 8.84 4.19 0.00 1.83 1.81 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.43 7.81 200 D 7.61 4.75 0.00 2.71 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 0.00 201 D 8.60 4.46 0.00 2.76 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 0.00 202 A 8.34 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 I 8.07 3.82 2.17 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 1.64 0.90 1.14 0.00 0.00 204 A 8.32 4.57 1.63 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 0.00 0.00 205 N 8.73 4.37 0.00 3.02 2.96 0.00 0.00 6.70 7.12 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 0.00 206 Y 8.22 4.01 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 L 8.28 4.07 0.00 2.07 1.85 0.75 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 208 R 8.41 4.11 0.00 1.85 1.90 0.00 2.92 0.00 0.00 2.68 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.96 0.00 209 S 7.61 4.20 0.00 3.96 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 L 7.29 3.99 0.00 1.63 1.65 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 211 D 7.86 4.84 0.00 2.66 2.98 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 * Residues marked with a * may have inaccurate shift predictions.