NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4432 8.3349 116.7928 57.4482 64.2908 173.5079 4 P 4.2054 0.0000 0.0000 60.5360 31.8355 173.0167 5 E 4.1384 8.6017 120.2327 56.0504 31.5111 174.8411 6 D 4.6463 7.5790 118.2554 52.7215 44.7189 174.4540 7 F 4.7421 8.4125 119.7467 55.6905 42.8152 174.3723 8 V 4.6403 8.6149 124.7738 61.1700 34.5702 173.4611 9 Y 5.4656 8.7993 127.1510 56.0986 41.8333 174.5269 10 Q 4.4968 8.5216 123.8333 54.0700 33.5662 173.7562 11 F 5.1635 8.7476 124.7218 56.4703 42.1631 173.8054 12 K 4.2013 8.5581 126.6078 54.4021 34.4542 175.6205 13 G 4.0687 8.3499 112.8975 44.6912 0.0000 172.4622 14 L 4.8006 8.8613 127.1156 52.5654 44.9695 175.2094 15 C 5.1487 8.3800 119.3568 55.3190 44.1674 172.7523 16 Y 4.5571 9.1971 122.7761 56.1264 39.8315 174.8247 17 F 5.5353 8.8645 122.1051 56.1018 42.3049 174.9490 18 T 4.4801 8.4189 118.1721 62.3578 72.7451 172.9523 19 N 4.2961 9.4651 124.8414 54.6603 37.7775 174.2323 20 G 3.9773 7.7114 115.6967 47.0479 0.0000 172.4906 21 T 4.3850 8.5493 119.1563 61.8572 67.8198 174.5278 22 E 4.0296 8.2669 117.1443 58.3102 30.0230 181.0572 23 R 4.6351 7.8040 122.1469 54.2783 32.1342 175.1801 24 V 4.8211 8.3755 123.7770 60.9381 34.3808 174.7431 25 R 4.5956 8.8443 126.6043 54.5906 33.6414 173.7564 26 G 4.5562 8.9698 113.0501 44.5324 0.0000 172.1120 27 V 5.2520 9.0242 122.9043 61.2440 35.5913 173.6791 28 T 5.0669 8.9142 117.4637 59.9414 71.7025 173.0906 29 R 4.9398 8.5285 122.9561 54.7440 34.2122 173.8021 30 H 5.2387 8.7682 120.6237 54.2227 31.2525 173.9591 31 I 5.1907 8.8194 123.3613 59.7771 41.4086 173.4920 32 Y 5.0575 9.2979 128.4282 57.6390 40.3678 176.6617 33 N 4.0436 9.6565 128.1954 54.5644 37.7775 175.4186 34 R 4.4793 9.2443 120.9421 56.3327 31.6642 174.4611 35 E 4.5344 8.5221 121.1143 54.0276 30.5542 174.6839 36 E 4.6022 8.9041 128.4291 56.3501 30.1744 175.2623 37 Y 5.1498 8.7149 124.5232 57.0158 40.7411 175.9157 38 V 5.1170 7.0086 117.7504 60.5300 35.2273 173.8739 39 R 5.1837 9.0017 121.0225 55.4324 34.3675 173.1407 40 F 4.7130 8.9986 126.1140 56.1979 42.2958 173.1609 41 D 4.8955 7.5426 125.7517 52.0759 42.7887 176.3306 42 S 4.1653 8.7019 122.3102 61.4735 63.0284 176.7477 43 D 4.2646 8.1920 120.3255 56.7913 40.7954 177.7137 44 V 3.6396 7.7882 118.7121 63.9668 31.7413 176.9348 45 G 4.0427 7.9219 104.0982 45.1850 0.0000 172.9938 46 V 4.9080 6.7978 110.2517 59.6356 35.9265 174.1407 47 Y 4.6788 9.4036 119.1167 58.5995 38.7635 176.2287 48 R 4.8268 9.3208 120.2088 54.4162 34.7122 174.5573 49 A 4.5847 8.9194 126.0958 52.3571 18.5040 177.2119 50 V 4.3155 9.3777 122.8466 63.5728 33.2091 175.5888 51 T 4.8359 7.7475 108.8097 58.2182 72.2774 172.5274 52 P 4.2789 0.0000 0.0000 66.1552 31.0139 178.5705 53 Q 4.2312 8.1581 114.2008 57.4620 28.9769 177.4914 54 G 4.1501 8.2331 106.5387 44.9557 0.0000 175.9214 55 R 3.9414 7.8442 121.0492 58.8904 30.1657 176.8512 56 P 4.3529 0.0000 0.0000 65.6185 31.3059 178.6381 57 V 3.0275 7.6338 116.0149 65.8468 31.3116 177.6900 58 A 4.1335 7.9355 120.5807 55.2108 18.0593 179.4189 59 E 3.9467 8.0793 114.9950 59.6681 29.7253 178.5505 60 Y 4.1909 7.9998 120.4449 60.3489 38.8627 177.6970 61 W 4.2252 8.2143 120.0179 59.7043 28.8556 178.2648 62 N 4.5739 8.4809 115.9212 55.5744 37.9709 177.3754 63 S 4.4086 7.4241 115.7334 60.2403 63.8090 174.7284 64 Q 3.8760 7.0063 123.2810 55.3172 28.8709 177.1368 65 K 3.9111 8.8192 124.7927 59.5482 32.1485 178.4827 66 E 3.8667 8.0119 118.2325 59.3105 29.4877 179.0039 67 V 3.3837 7.6802 117.7224 65.9919 31.4948 177.5602 68 L 3.9796 7.7340 119.3904 58.4068 41.9855 178.8634 69 E 4.1071 8.2150 118.5497 59.1443 29.0924 179.6673 70 G 3.4672 8.2463 105.4624 47.7123 0.0000 175.3779 71 A 3.7503 7.9078 123.4876 54.7016 17.9116 179.8941 72 R 4.1028 7.5750 115.4565 58.6816 30.4543 178.1443 73 A 4.3157 7.8280 119.1284 53.1229 18.7062 179.3435 74 S 4.0752 7.6300 114.2017 61.4117 62.7867 176.6196 75 V 3.6170 7.9715 120.4976 65.5938 30.6728 177.3098 76 D 4.5112 7.9047 117.5003 56.7450 41.3577 178.9709 77 R 4.0786 8.2382 117.0521 58.2507 30.2356 177.2347 78 V 4.2983 7.9532 115.2502 64.7025 33.3990 176.6045 79 C 4.5983 8.1373 115.3383 60.5051 38.7242 176.4039 80 R 4.0306 8.7163 119.8104 59.3608 29.6603 178.8668 81 H 4.1563 8.0444 117.0624 59.5392 29.9396 177.2486 82 N 4.1515 8.7927 118.4505 56.0776 38.1767 176.8590 83 Y 3.6381 7.9929 121.3388 60.4716 38.6012 177.7433 84 E 4.1470 7.7285 118.1935 59.2633 29.7275 179.0546 85 V 3.6878 7.5157 117.1512 65.1908 31.7813 176.2289 86 A 4.5008 7.9264 118.1707 52.8328 23.8596 177.7139 87 Y 4.1582 7.2270 113.1897 61.1552 37.6225 178.3562 88 R 3.6861 7.6445 118.9313 59.5072 30.4198 178.4648 89 G 3.6663 7.8482 104.7740 47.7921 0.0000 175.6345 90 I 3.7107 7.8282 122.3205 63.9578 36.9448 177.9670 91 L 4.3203 8.1039 117.3110 56.2781 41.4298 178.1784 92 Q 4.4476 7.6567 117.5355 55.0841 29.5320 175.8878 93 R 4.0183 7.6728 121.6530 56.5321 30.5218 175.8861 94 R 4.9567 8.4913 123.1722 54.5690 34.0880 174.6133 95 V 4.4377 9.0117 121.9234 60.9281 34.4401 174.4821 96 E 4.5714 9.2737 127.8655 55.4436 30.0151 175.3837 97 P 4.8331 0.0000 0.0000 63.0641 32.9943 175.4432 98 T 4.5220 8.8694 118.6127 62.0785 70.5674 173.5415 99 V 4.5004 8.4099 127.0167 61.4130 33.1709 174.6810 100 T 4.7773 8.6098 121.7861 60.3817 70.8160 172.3662 101 I 5.4613 8.4805 127.9206 59.2014 40.0932 175.0896 102 S 4.6961 8.0856 116.4746 57.0487 65.7071 173.1872 103 P 4.9296 0.0000 0.0000 62.0894 32.0038 175.2863 104 S 4.3528 8.4434 112.0509 60.0678 64.8483 174.9966 *113 N 4.4961 7.6568 122.1474 52.0559 38.9997 172.2200 114 L 5.0164 7.7835 121.6448 52.3639 45.6125 174.6122 115 L 4.3956 7.9642 123.4487 53.0787 45.3760 175.0870 116 I 4.7859 8.2845 125.9078 59.7393 40.5865 173.8468 117 C 4.6809 9.2864 128.6806 55.6096 38.5942 172.6219 118 S 4.5452 9.2679 124.0967 57.1057 62.6270 172.5922 119 V 4.6507 8.4382 128.3913 61.8917 32.4231 174.7569 120 T 5.0496 8.7310 117.8805 59.5393 72.7344 173.0258 121 D 4.4474 8.6125 118.8316 56.0213 38.3283 172.3457 122 F 5.6272 7.1938 112.7440 54.5054 42.2637 174.6030 123 Y 5.0196 8.2909 115.4454 56.4574 41.7366 172.4258 124 P 3.8672 0.0000 0.0000 62.2257 32.3570 175.6970 125 S 3.4437 8.1322 112.8427 60.9862 63.2346 174.8539 126 Q 3.8633 7.6466 119.0166 56.7279 28.8159 175.8879 127 I 4.4397 7.6792 119.8546 59.9495 41.1532 173.3917 128 K 4.6127 8.7889 127.4100 54.5475 35.6217 175.2796 129 V 4.7186 8.4223 124.0373 61.1885 34.0421 174.6239 130 R 4.7535 9.3209 126.5245 54.1680 33.9731 174.6909 131 W 5.3653 8.4038 120.2180 55.2914 32.6610 174.8411 132 F 5.3178 9.6220 120.3479 56.0467 43.6676 173.6145 133 R 4.5195 9.2349 123.6590 54.5111 32.3081 175.2304 134 N 4.1996 9.5279 126.2154 54.7137 36.5091 175.4326 135 D 4.5717 8.5762 114.7710 54.4828 39.0016 174.1508 136 Q 4.8153 7.8839 119.2312 53.6371 30.5860 174.8518 137 E 3.7185 8.8629 123.8087 55.9691 30.3129 175.4429 138 E 4.6552 8.3586 125.7953 55.1284 31.5143 174.7447 139 T 4.3348 8.3108 111.1485 63.1173 70.5963 174.2243 140 A 4.2672 7.7570 124.5363 52.5343 19.0206 177.8890 141 G 3.9056 8.7602 107.7406 45.3219 0.0000 173.2157 142 V 4.6306 7.4617 119.9137 61.6073 32.8503 175.4042 143 V 4.6299 8.8995 127.4731 61.0669 34.5529 174.1868 144 S 5.3728 8.6714 121.7057 56.5752 65.8454 173.8605 145 T 4.3267 8.7533 113.3166 60.7023 70.0710 172.0984 146 P 4.6042 0.0000 0.0000 61.2235 32.4925 175.8535 147 L 4.2530 8.2521 121.3959 55.5755 43.0139 175.9109 148 I 4.5162 8.7172 126.1605 59.5019 39.8397 174.5866 149 R 4.1148 8.6022 128.0897 55.3342 29.7854 176.0047 150 N 4.2858 8.4137 125.6085 54.5812 38.7445 176.7763 151 G 3.8340 8.1622 105.4049 45.0129 0.0000 173.1492 152 D 4.9160 7.3971 117.8338 52.8133 39.7282 175.8253 153 W 3.2175 8.4941 116.4311 58.1882 25.9288 173.9248 154 T 4.9915 7.2251 105.5299 60.6570 72.2984 172.0783 155 F 5.2245 8.7378 121.2156 56.1090 43.4697 173.5257 156 Q 5.2855 8.5920 115.2787 56.2496 32.3368 173.2220 157 I 4.7717 9.1288 119.5539 60.0982 42.1932 172.9497 158 L 5.2421 8.6415 128.9743 53.1731 44.2746 176.0237 159 V 4.8205 8.4528 122.0914 60.2932 33.8535 174.8852 160 M 4.9055 9.2647 126.5880 54.9939 34.0035 175.6284 161 L 4.7093 8.3462 122.5108 53.0616 45.1549 175.4750 162 E 4.2505 9.2273 127.9021 56.8031 29.8704 176.2525 163 M 4.7008 8.4199 122.6069 54.6456 35.9346 174.1102 164 T 4.4726 8.3172 114.1580 58.7835 70.3250 172.0070 165 P 4.6456 0.0000 0.0000 62.6301 32.0918 175.7261 166 Q 4.8235 8.1567 119.4266 53.6976 32.0101 176.8084 167 R 3.9007 8.8267 119.1367 58.8423 30.1459 177.9818 168 G 4.0209 7.8547 103.3005 45.0861 0.0000 173.0465 169 D 4.6677 7.8609 121.1792 54.1158 42.3229 175.4975 170 V 4.5479 8.7452 122.3891 61.4903 34.1985 173.6985 171 Y 5.3220 9.5534 126.4168 57.0378 40.4892 174.9804 172 T 5.3081 9.6104 119.6521 62.1036 72.9788 171.9134 173 C 4.3167 8.9929 126.7310 55.1695 41.3461 171.5318 174 H 5.2214 9.1806 127.4887 54.5177 31.5550 173.1989 175 V 4.8625 8.7001 126.1161 61.0828 34.4443 173.9565 176 E 5.0266 8.9999 126.8781 55.0915 33.0521 174.4449 177 H 5.1091 8.3864 120.9385 54.2379 33.0571 172.5429 178 P 4.3310 0.0000 0.0000 65.0822 31.2800 177.0391 179 S 4.6198 8.3779 112.9172 57.9924 63.4566 172.8508 180 L 4.7508 7.6541 121.7286 53.0995 43.2949 176.7170 181 Q 4.1854 8.8080 123.0646 58.4630 29.0446 176.8825 182 S 4.6926 7.5341 111.0245 55.6466 66.9280 171.8386 183 P 4.4927 0.0000 0.0000 63.4080 31.9727 175.5386 184 I 4.5240 8.5154 123.3245 60.0848 39.4588 175.0107 185 T 4.9797 8.2753 115.3477 60.0487 71.4227 173.0351 186 V 4.4734 8.4898 126.1166 61.0599 34.1524 174.5324 187 E 5.3389 8.7631 126.2102 55.2257 32.2176 175.3108 188 W 5.0043 9.0389 130.7036 56.6927 34.3808 173.5366 189 R 5.1669 7.8173 125.3929 53.6120 32.8636 175.4281 190 A 3.8072 8.0219 121.7336 52.9204 18.9001 177.9816 191 Q 3.8586 8.4345 120.2358 56.1098 28.6468 177.5489 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 3 S 8.33 4.44 0.00 3.85 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 4 P 0.00 4.21 0.00 2.10 1.98 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 5 E 8.60 4.14 0.00 1.85 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 2.30 2.26 0.00 6 D 7.58 4.65 0.00 2.47 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 0.00 0.00 0.00 0.00 7 F 8.41 4.74 0.00 3.12 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 8 V 8.61 4.64 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 0.98 0.00 0.00 0.91 0.00 0.00 9 Y 8.80 5.47 0.00 3.16 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 10 Q 8.52 4.50 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 11 F 8.75 5.16 0.00 3.00 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 12 K 8.56 4.20 0.00 1.53 1.51 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.23 7.81 13 G 8.35 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 0.00 0.00 0.00 0.00 14 L 8.86 4.80 0.00 1.61 1.09 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.38 5.15 0.00 2.74 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 16 Y 9.20 4.56 0.00 2.75 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.86 5.54 0.00 3.08 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 18 T 8.42 4.48 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 1.25 0.00 0.00 19 N 9.47 4.30 0.00 2.98 2.82 0.00 0.00 7.12 7.99 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 20 G 7.71 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.55 4.39 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 22 E 8.27 4.03 0.00 2.05 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 0.00 2.26 2.16 0.00 23 R 7.80 4.64 0.00 1.73 1.88 0.00 3.03 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 24 V 8.38 4.82 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 0.67 0.00 0.00 1.10 0.00 0.00 25 R 8.84 4.60 0.00 1.82 1.68 0.00 3.02 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 26 G 8.97 4.56 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 27 V 9.02 5.25 2.25 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 1.02 0.00 0.00 0.95 0.00 0.00 28 T 8.91 5.07 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 1.30 0.00 0.00 29 R 8.53 4.94 0.00 1.65 1.77 0.00 3.05 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 30 H 8.77 5.24 0.00 2.50 3.04 0.00 5.56 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.82 5.19 1.82 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 1.10 0.76 0.98 0.00 0.00 32 Y 9.30 5.06 0.00 3.27 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.66 4.04 0.00 2.58 2.19 0.00 0.00 6.89 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.24 4.48 0.00 1.76 1.90 0.00 3.31 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 35 E 8.52 4.53 0.00 2.07 2.13 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 2.41 2.33 0.00 36 E 8.90 4.60 0.00 1.99 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 0.00 2.27 2.27 0.00 37 Y 8.71 5.15 0.00 3.11 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.01 5.12 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 0.65 0.00 0.00 1.23 0.00 0.00 39 R 9.00 5.18 0.00 2.13 1.80 0.00 3.00 0.00 0.00 3.03 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 40 F 9.00 4.71 0.00 2.10 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 41 D 7.54 4.90 0.00 2.52 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 0.00 0.00 0.00 42 S 8.70 4.17 0.00 4.07 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 0.00 43 D 8.19 4.26 0.00 2.78 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 44 V 7.79 3.64 1.94 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 0.65 0.00 0.00 0.82 0.00 0.00 45 G 7.92 4.04 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 0.00 0.00 0.00 46 V 6.80 4.91 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0.00 0.00 0.00 0.00 0.00 63 S 7.42 4.41 0.00 3.92 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 64 Q 7.01 3.88 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.82 0.00 0.00 0.00 0.00 0.00 1.91 2.22 0.00 65 K 8.82 3.91 0.00 1.80 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.76 1.54 7.81 66 E 8.01 3.87 0.00 2.01 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 2.37 2.34 0.00 67 V 7.68 3.38 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 0.64 0.00 0.00 0.71 0.00 0.00 68 L 7.73 3.98 0.00 1.91 1.68 1.19 0.99 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 69 E 8.22 4.11 0.00 2.09 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 2.50 0.00 70 G 8.25 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 0.00 0.00 0.00 0.00 71 A 7.91 3.75 0.12 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 0.00 0.00 72 R 7.57 4.10 0.00 1.97 2.07 0.00 3.22 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 73 A 7.83 4.32 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 74 S 7.63 4.08 0.00 4.07 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 75 V 7.97 3.62 2.13 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 1.20 0.00 0.00 0.97 0.00 0.00 76 D 7.90 4.51 0.00 2.75 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 77 R 8.24 4.08 0.00 1.84 1.99 0.00 3.09 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 78 V 7.95 4.30 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 1.09 0.00 0.00 0.97 0.00 0.00 79 C 8.14 4.60 0.00 3.35 3.19 0.00 0.00 0.00 0.00 0.00 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1.30 7.81 129 V 8.42 4.72 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 0.60 0.00 0.00 0.80 0.00 0.00 130 R 9.32 4.75 0.00 1.77 1.63 0.00 3.14 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 131 W 8.40 5.37 0.00 3.20 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 0.00 132 F 9.62 5.32 0.00 3.23 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 0.00 133 R 9.23 4.52 0.00 1.85 1.76 0.00 3.20 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.79 0.00 134 N 9.53 4.20 0.00 2.88 2.86 0.00 0.00 7.15 7.95 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 0.00 135 D 8.58 4.57 0.00 2.86 2.82 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 Q 7.88 4.82 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 137 E 8.86 3.72 0.00 1.40 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.89 0.00 138 E 8.36 4.66 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 139 T 8.31 4.33 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 1.16 0.00 0.00 140 A 7.76 4.27 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 0.00 141 G 8.76 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.46 4.63 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.01 0.00 0.00 143 V 8.90 4.63 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 0.91 0.00 0.00 144 S 8.67 5.37 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 0.00 145 T 8.75 4.33 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 1.29 0.00 0.00 146 P 0.00 4.60 0.00 2.08 2.05 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 147 L 8.25 4.25 0.00 1.63 1.58 1.07 0.52 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 0.00 148 I 8.72 4.52 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.32 0.92 0.00 0.00 149 R 8.60 4.11 0.00 1.82 1.77 0.00 3.10 0.00 0.00 2.99 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.22 0.00 150 N 8.41 4.29 0.00 2.87 2.78 0.00 0.00 7.30 7.79 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 0.00 151 G 8.16 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.40 4.92 0.00 2.77 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 W 8.49 3.22 0.00 3.26 3.01 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 0.00 154 T 7.23 4.99 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 1.24 0.00 0.00 155 F 8.74 5.22 0.00 1.51 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 0.00 156 Q 8.59 5.29 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 157 I 9.13 4.77 2.06 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 1.29 1.18 1.05 0.00 0.00 158 L 8.64 5.24 0.00 1.70 1.60 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.45 4.82 2.13 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 0.73 0.00 0.00 1.10 0.00 0.00 160 M 9.26 4.91 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 161 L 8.35 4.71 0.00 0.27 0.13 0.72 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 162 E 9.23 4.25 0.00 1.73 1.77 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 2.37 2.33 0.00 163 M 8.42 4.70 0.00 1.43 1.51 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.38 0.00 164 T 8.32 4.47 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 1.20 0.00 0.00 165 P 0.00 4.65 0.00 2.39 2.30 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 166 Q 8.16 4.82 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 167 R 8.83 3.90 0.00 1.81 2.01 0.00 3.18 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 168 G 7.85 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 0.00 0.00 0.00 169 D 7.86 4.67 0.00 2.71 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 0.00 0.00 0.00 170 V 8.75 4.55 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 1.18 0.00 0.00 0.93 0.00 0.00 171 Y 9.55 5.32 0.00 3.45 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 0.00 172 T 9.61 5.31 4.46 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 1.27 0.00 0.00 173 C 8.99 4.32 0.00 1.99 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 0.00 174 H 9.18 5.22 0.00 3.37 3.38 0.00 5.58 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 0.00 175 V 8.70 4.86 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 0.84 0.00 0.00 0.77 0.00 0.00 176 E 9.00 5.03 0.00 1.89 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 2.22 2.27 0.00 177 H 8.39 5.11 0.00 2.99 3.00 0.00 5.68 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.33 0.00 2.19 2.11 0.00 3.14 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 179 S 8.38 4.62 0.00 4.10 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 0.00 180 L 7.65 4.75 0.00 1.75 1.77 0.87 0.74 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 0.00 181 Q 8.81 4.19 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 182 S 7.53 4.69 0.00 3.77 3.67 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 0.00 183 P 0.00 4.49 0.00 1.73 1.75 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 184 I 8.52 4.52 1.79 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 1.25 0.74 0.86 0.00 0.00 185 T 8.28 4.98 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 1.11 0.00 0.00 186 V 8.49 4.47 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 1.05 0.00 0.00 0.98 0.00 0.00 187 E 8.76 5.34 0.00 1.96 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 2.34 2.34 0.00 188 W 9.04 5.00 0.00 3.63 3.32 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 0.00 189 R 7.82 5.17 0.00 1.47 1.64 0.00 3.24 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 190 A 8.02 3.81 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 0.00 191 Q 8.43 3.86 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.