NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8204 8.2133 109.7416 45.5324 0.0000 175.6557 *2 E 4.3142 8.5013 117.4650 55.9145 32.4636 178.2795 3 F 3.7263 8.1639 119.7194 61.1208 39.3619 176.6606 4 N 4.0276 8.5456 116.6885 56.4349 38.3981 176.7943 5 H 4.0550 7.9214 119.1496 58.9746 30.0035 177.0156 6 L 3.8178 7.4052 121.9947 58.2715 41.9235 179.0726 7 T 3.4502 7.1553 109.8073 64.2991 68.5235 176.3137 8 K 3.8114 7.8527 122.4592 59.3942 32.1269 178.7732 9 Q 3.9075 7.6993 117.9008 58.8839 28.5952 178.7793 10 L 3.6910 7.6878 119.8825 57.7651 41.4820 179.3244 11 N 4.3790 8.0814 116.3029 56.4497 38.4851 177.4679 12 Q 3.9863 8.1037 119.4003 58.7789 28.8092 178.4986 13 L 4.0349 8.1505 121.5369 58.1452 41.8411 178.7518 14 L 3.9238 8.0437 119.9284 58.3394 41.8326 178.9159 15 A 4.1056 8.1445 119.3173 54.6919 18.3828 178.8423 16 Q 4.3458 8.1837 115.2620 56.8966 29.5465 176.2943 17 D 4.7823 8.3192 116.5672 53.9228 41.9676 175.4925 18 Y 4.5005 7.6522 117.6520 55.9022 39.7371 176.8012 19 V 3.6341 8.3194 119.4508 63.8806 32.0104 178.8912 20 A 3.6127 8.1821 122.3491 54.2594 18.1122 178.0518 21 F 4.6103 7.1928 111.2228 57.4612 39.6625 176.3843 22 S 4.4128 7.6493 116.5539 57.6396 63.8583 174.6239 23 I 3.6590 8.3437 128.1006 63.3093 37.9422 177.1657 24 T 4.3173 7.7213 108.7760 62.6071 70.0241 175.4190 25 E 4.3594 7.6595 118.1302 54.6682 30.5554 175.7571 26 N 4.2356 7.2917 120.0116 52.9140 39.4638 174.0572 27 P 4.3266 0.0000 0.0000 65.6688 31.9270 177.9810 28 V 3.6238 7.8878 117.9659 65.7578 31.7222 177.0873 29 V 3.5483 7.6094 118.2671 66.0274 31.3155 178.3803 30 Q 4.0814 7.7575 116.7526 56.0507 27.7696 177.4177 *32 L 3.9474 8.0690 120.4668 54.6436 43.4825 179.5164 33 S 4.3126 8.1171 111.6688 60.7104 62.9813 174.7294 34 Q 4.4146 8.0404 117.2606 55.4320 29.0930 174.7823 35 A 4.9703 7.5631 121.4613 50.4895 21.2279 177.6057 36 S 4.8477 8.6800 116.2882 57.0327 65.9346 175.2748 37 F 4.2499 9.0655 123.7028 61.9899 38.9291 177.2441 38 A 4.1753 8.3169 119.4653 55.2994 18.2021 179.4948 39 Q 3.9946 8.0656 116.7924 59.1367 28.5603 178.8502 40 I 3.7907 7.5916 119.4667 63.9127 37.2106 177.8176 41 A 4.0581 7.9797 121.4240 55.3351 18.4836 178.6713 42 Y 4.4890 8.2143 119.3280 60.1509 38.7003 178.8824 43 V 3.5076 7.5032 115.0454 63.9110 31.4178 177.3880 *45 Q 4.3009 7.9832 117.4329 55.7552 30.7883 177.6789 46 Q 3.9798 7.9977 116.6979 58.9885 28.6567 177.8462 47 Y 4.2474 8.4987 121.2731 61.0214 38.9616 178.5222 48 S 4.1784 7.8793 113.8020 61.2871 62.8898 176.4765 49 I 3.7198 7.6981 123.6811 63.7595 36.4928 178.1010 50 F 3.8672 7.6870 121.1377 60.8455 39.4526 174.9722 51 P 4.2895 0.0000 0.0000 65.6522 30.8387 178.3537 52 K 3.2343 7.6084 117.0065 58.6706 32.2768 177.7381 53 E 4.0416 7.5292 116.2433 56.0809 29.6857 177.7337 54 L 3.7101 7.0900 122.6034 57.9215 42.1232 178.8655 55 V 3.6041 7.6146 117.9379 65.8001 31.4875 178.0191 56 G 3.3326 7.6604 104.8704 47.8288 0.0000 175.4854 57 F 4.0604 7.2057 120.1182 60.4693 38.7204 177.9908 58 T 4.0823 8.1565 115.4910 66.5430 68.2089 176.4237 59 E 3.9626 8.3989 121.4833 59.0929 29.6319 178.8569 60 L 4.0853 7.9858 119.0413 57.6698 41.6632 179.2810 61 A 4.0609 8.4919 120.8874 55.1369 18.3191 179.6301 62 R 3.8692 8.4309 117.5724 59.7121 30.1152 179.0338 63 R 3.9354 8.1664 117.8710 59.0507 30.1430 179.1494 64 K 3.8396 8.2433 118.1612 59.2230 31.9550 179.1015 65 A 3.7378 8.0309 120.9437 55.1453 18.3302 179.4330 66 L 3.9834 8.0261 117.5351 58.1898 41.5496 180.1780 67 G 3.5928 8.0198 103.7567 47.3544 0.0000 174.5860 68 A 4.3153 7.5464 119.7671 51.4781 18.8687 177.9075 69 G 3.8806 7.8186 105.2658 46.4944 0.0000 176.1341 70 W 3.0912 7.9130 122.1469 54.9662 25.8058 176.6392 71 N 4.5028 7.6287 120.1632 56.0777 38.6959 177.1814 72 G 3.8312 8.9322 107.7322 47.7131 0.0000 175.9693 73 V 3.7728 7.8707 119.8408 65.7642 31.8602 177.8614 74 A 4.0645 8.1160 120.6618 55.0306 18.1513 179.4868 75 Q 3.9171 8.2487 118.2860 59.2565 28.6678 177.8808 76 E 3.9611 8.2045 120.3663 59.4056 29.7063 178.8166 77 L 4.0890 8.1275 118.9889 57.7277 41.5639 179.2826 78 Q 3.9612 8.0666 119.2601 59.3148 29.0612 178.1156 79 E 3.9779 8.2301 119.5790 59.4443 29.3651 179.2276 80 N 4.3463 8.1751 116.3665 56.4487 38.4600 177.2344 81 I 3.8228 8.0343 120.0355 64.7744 37.5120 177.8551 82 D 4.5034 8.4167 119.6300 57.3085 40.4359 178.5203 83 E 3.9980 7.9861 117.7374 59.4930 29.7801 180.7149 84 E 3.8345 8.2415 117.3400 56.5353 29.9372 178.2445 *86 G 4.1498 8.0374 106.2505 45.7292 0.0000 176.2598 87 S 3.9934 8.1849 117.6750 60.9244 63.1578 175.1710 88 T 4.3643 7.8807 108.2374 62.1881 68.8848 174.6914 89 T 4.6599 7.3271 111.9470 61.3406 69.6242 173.8271 90 G 4.1182 8.8651 107.6041 47.6996 0.0000 175.4047 91 G 3.8710 9.0250 106.5361 45.2001 0.0000 173.8714 92 I 4.3038 7.0216 120.8830 59.4024 38.1206 176.7114 93 S 4.5484 8.4701 120.8014 58.3991 64.9613 174.7526 94 H 4.4416 9.0096 120.9141 59.4002 28.0064 177.5013 95 Y 4.0726 8.1543 120.6902 61.0999 38.7019 178.1688 96 T 3.6719 8.1678 116.5444 66.6138 68.6795 176.5016 97 L 3.8995 8.0783 120.9576 57.5951 41.5392 179.4749 98 L 3.1602 7.6299 120.0275 57.7058 42.0090 178.6769 99 A 3.6882 7.6447 121.0009 55.3949 18.1704 179.4373 100 D 4.3237 7.9870 117.3635 57.2373 40.8453 179.2671 101 G 3.4686 7.7747 106.0417 47.7468 0.0000 175.8310 102 L 4.0054 8.0055 121.8046 57.2870 41.7343 179.2851 103 E 4.0625 8.1060 120.5410 58.9974 29.4678 178.7369 104 E 4.1460 8.2451 117.5418 59.0177 29.6687 178.6350 105 G 3.7065 8.0744 107.3531 47.6673 0.0000 174.3396 106 L 4.5484 7.9406 117.6916 53.5984 43.5065 177.6564 107 G 3.8203 8.2041 105.6874 45.7137 0.0000 173.5421 108 V 4.1534 7.5914 119.7110 60.5727 31.6357 174.3445 109 A 4.3352 8.4523 130.8554 51.7573 19.2567 177.2196 110 V 4.5413 8.0556 113.4955 59.8748 34.0278 178.0335 111 K 4.1852 8.1362 118.0166 58.5289 31.9661 177.2533 112 N 4.7441 7.9815 113.2212 53.2026 38.6960 175.7328 113 T 4.0163 7.6160 116.9106 62.6891 69.0056 170.7785 *115 P 4.3659 0.0000 0.0000 62.9718 32.2608 177.1227 116 S 4.5155 9.1202 117.5064 57.5780 65.3654 175.4482 117 V 3.5714 8.3592 119.6780 66.2544 31.1331 177.4167 118 A 4.2088 8.6684 120.7322 55.7790 18.1933 179.8197 119 T 4.2195 7.8943 113.9688 66.8340 68.5992 177.4305 120 S 4.1608 8.5029 117.5367 61.2883 62.8302 176.4611 121 K 3.9131 8.2523 122.4022 59.5650 31.8829 178.4487 122 L 3.9518 8.1489 120.4274 58.1395 41.9420 178.9702 123 L 4.0781 7.9637 118.8248 57.8500 41.5995 179.5186 124 R 3.9453 8.0594 117.9093 59.6846 30.0513 178.9697 125 T 3.8529 7.8183 115.2245 66.8597 68.6575 176.5311 126 V 3.5258 7.8842 119.9221 66.1588 31.2153 177.8842 127 L 4.1960 7.8211 118.8598 57.9403 42.1120 178.7308 128 S 4.3290 8.1475 114.6982 61.2581 63.0088 176.5121 129 L 4.2869 8.1198 122.6717 57.6132 41.2284 178.8480 130 F 4.1626 8.2088 113.2957 58.1686 38.7089 175.2068 131 D 4.8435 7.4522 115.6519 53.9663 41.6709 176.6265 132 R 4.2317 7.5594 117.3849 55.8522 32.2536 176.5669 133 Q 4.2668 8.1828 117.2043 55.5470 30.9278 177.0186 134 V 3.3291 8.0636 122.0131 65.1788 30.8176 178.1636 135 D 4.5554 7.8845 119.3171 56.3343 39.2828 177.8262 136 Y 4.1047 7.9662 120.6479 60.3788 39.0331 177.9146 137 V 3.2870 8.0374 119.3286 65.8043 31.5032 177.9109 138 L 4.2517 8.3376 119.0304 57.1603 41.4743 179.6186 139 G 2.2509 7.5046 105.5102 47.1012 0.0000 175.5859 140 A 3.9048 7.5140 123.0906 55.1079 18.1412 179.9236 141 T 4.0841 7.6526 114.2216 66.8361 68.4551 176.5080 142 Y 4.2215 8.4107 121.5108 60.5540 38.8334 177.7900 143 A 3.3098 7.9529 121.8867 54.7977 18.0451 179.7076 144 I 3.6186 7.0682 116.2233 64.4332 37.3860 177.9120 145 E 4.1142 8.0600 121.2001 58.8014 29.2897 178.8160 146 A 3.8733 7.6587 119.7665 54.5582 18.6785 178.7972 147 T 3.9004 7.6767 106.8751 62.5172 69.1607 177.0505 148 S 4.1686 7.6377 119.1877 62.0770 62.8776 176.5819 149 I 3.8215 7.6318 121.6356 63.8730 36.9568 176.4881 150 P 4.2248 0.0000 0.0000 65.5070 31.1900 178.0813 151 E 4.1302 8.8450 120.8704 60.0723 29.6108 179.4650 152 L 4.0794 8.1831 122.3120 59.8984 40.8584 181.1043 153 T 3.9369 8.0886 116.9912 66.4052 68.3427 176.6212 154 L 3.8344 7.8081 120.7745 57.9348 41.5431 179.7575 155 I 3.6845 7.6054 119.7028 63.9876 36.9402 178.4149 156 V 3.1562 7.4862 119.2824 65.9022 31.2564 177.9070 157 K 3.9143 7.6634 118.7541 59.6222 31.9512 178.6496 158 L 4.0461 7.8958 119.1847 57.7746 41.1448 179.6860 159 V 3.7203 8.1676 118.3952 66.1935 31.4488 177.9984 160 E 4.1770 8.7863 118.7587 58.9581 28.9925 179.2679 161 W 4.0203 8.2617 127.9174 60.4017 31.0407 177.9916 162 L 4.3660 8.3938 117.0515 56.7034 41.7501 176.5694 163 H 4.9283 7.9183 120.9284 56.4991 30.2057 173.6487 164 E 3.7340 9.4091 108.9613 56.6268 27.0467 177.8047 165 G 3.9918 9.1320 110.3752 45.9827 0.0000 174.4019 166 A 4.6401 7.3998 121.4132 50.7300 20.7707 176.1790 167 I 4.6253 7.9766 119.4864 58.5117 39.7939 175.1554 168 P 4.4586 0.0000 0.0000 62.0400 33.1992 177.1984 169 K 3.8971 8.5751 120.7617 60.1794 32.2737 178.9712 170 D 4.4133 8.0199 118.4447 57.3286 40.6922 178.6394 171 L 3.7591 7.7707 119.1310 57.3500 41.5519 179.0759 172 Q 4.0684 8.1301 119.8453 59.2031 29.0366 177.2860 173 Y 4.0889 8.0212 120.6322 60.9003 38.4190 177.8929 174 F 4.0943 8.1840 120.9417 61.6127 39.3815 177.2261 175 F 4.4333 8.1980 117.3652 60.6755 38.4732 177.9450 176 S 4.1315 8.2854 114.4156 61.5665 62.6786 176.6184 177 K 3.9679 7.6660 120.2465 59.4007 31.7664 178.9732 178 H 4.3178 7.6547 118.0985 58.4932 30.0600 177.8291 179 L 4.4818 7.7649 123.6396 52.7015 40.5756 177.5995 180 D 4.7255 8.3504 126.4488 53.6985 46.5349 176.1390 181 E 4.5191 9.7158 115.5229 54.6875 32.8364 173.7890 *182 W 3.0904 8.7340 125.5043 56.2717 26.5828 170.4774 *184 I 4.2640 7.4147 125.7309 61.2366 39.6317 178.0964 185 E 3.9571 8.0003 119.5050 59.6633 29.7336 178.7984 186 H 4.1728 8.1925 115.7983 58.8562 28.8866 177.2971 187 E 4.0504 8.2319 120.4043 59.3389 29.5438 178.5249 188 A 4.1788 8.5261 121.3612 54.9568 18.4188 179.9386 189 G 3.6193 7.9938 105.2497 47.3231 0.0000 175.8463 190 L 4.1178 7.8477 124.0274 57.1936 42.2222 178.6156 191 R 4.0641 8.3106 119.0411 60.1084 29.7903 178.6153 192 T 4.0150 8.1313 108.3389 64.4949 69.0084 176.4206 193 S 4.2662 8.1225 117.3671 61.4286 63.0184 176.7399 194 V 3.5948 7.9882 121.8578 65.3864 31.0568 177.8170 195 A 3.4055 7.6191 119.2085 54.4878 18.1914 179.0695 196 A 3.7372 7.2611 117.9815 54.2460 18.3339 177.8016 197 Y 4.0733 7.0427 113.0921 58.4151 40.3868 176.5333 198 I 3.8412 6.8263 118.8146 60.7992 38.8334 174.7792 199 Q 4.5607 8.6932 125.8018 53.5806 30.9145 175.0645 200 P 2.9700 0.0000 0.0000 64.9908 31.0506 178.3985 201 E 4.1414 7.8708 113.8707 57.8860 29.8790 177.5152 202 E 4.6437 8.1199 119.6008 56.6012 30.0562 177.5266 203 F 4.8161 8.2777 120.2666 60.3763 38.9288 177.6566 204 G 3.7843 8.3373 105.1414 48.0876 0.0000 175.4388 205 E 4.2165 8.3681 121.1317 58.8401 29.5489 179.0119 206 F 4.4296 8.7936 121.8640 60.8329 39.4392 177.0193 207 A 4.0669 8.7473 120.5235 55.1375 18.1376 179.3845 208 A 4.0564 8.3321 119.4187 55.1768 18.2447 179.9200 209 G 2.4419 7.3706 103.1516 47.4370 0.0000 175.2086 210 F 4.0298 7.5060 121.9345 60.8419 39.6270 176.5584 211 R 4.1445 8.3679 118.2407 59.5265 29.7851 178.8551 212 A 4.2511 7.8160 116.8839 53.1694 18.0612 178.8919 *214 I 3.9906 7.6814 115.3129 62.3048 39.7283 176.8715 215 D 4.6740 8.5191 120.9498 57.5860 40.9005 179.2630 216 A 4.2573 7.9674 118.0707 53.3368 18.2389 178.7933 *218 Q 4.2846 8.1754 121.5179 57.4970 30.9403 177.4218 219 V 3.9036 8.0980 118.4909 65.0947 31.3700 177.7402 220 W 4.0508 8.3201 127.8837 60.4198 30.6044 177.8833 221 W 3.7115 8.3510 118.2962 59.7258 28.0865 178.4077 222 Q 3.9561 8.1244 117.8523 59.0837 28.1266 178.7387 223 E 3.9681 8.2945 119.7737 59.1620 29.4876 178.9688 224 L 3.6728 7.8420 120.5978 58.0750 41.9545 178.9600 225 A 3.9282 7.8587 120.6470 55.1105 16.7910 179.4615 226 Q 3.8711 7.8079 118.2446 59.1434 28.9120 178.0392 227 E 3.9588 8.1203 118.6262 59.4717 29.6393 178.8858 228 A 3.9601 7.9187 119.0721 53.9977 18.8436 178.0760 229 I 4.2519 7.6456 116.0252 62.2095 39.3729 176.0027 230 S 4.1746 7.4627 119.5092 58.7034 63.7742 173.6089 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 8.21 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 0.00 0.00 0.00 *2 E 8.50 4.31 0.00 2.32 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 3 F 8.16 3.73 0.00 2.95 2.90 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 4 N 8.55 4.03 0.00 2.81 2.77 0.00 0.00 6.63 7.83 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 5 H 7.92 4.05 0.00 3.12 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.41 3.82 0.00 1.28 1.01 0.85 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.16 3.45 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 -0.30 0.00 0.00 8 K 7.85 3.81 0.00 1.84 1.86 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.43 7.81 9 Q 7.70 3.91 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 10 L 7.69 3.69 0.00 1.26 0.13 0.66 0.25 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 11 N 8.08 4.38 0.00 2.85 2.86 0.00 0.00 7.07 7.30 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 12 Q 8.10 3.99 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 13 L 8.15 4.03 0.00 1.80 1.92 1.15 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.04 3.92 0.00 1.86 1.99 0.43 0.98 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 15 A 8.14 4.11 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 16 Q 8.18 4.35 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 17 D 8.32 4.78 0.00 3.04 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 18 Y 7.65 4.50 0.00 3.40 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 19 V 8.32 3.63 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 0.85 0.00 0.00 0.92 0.00 0.00 20 A 8.18 3.61 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.19 4.61 0.00 3.12 3.05 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 22 S 7.65 4.41 0.00 3.91 3.80 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 23 I 8.34 3.66 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.74 0.87 0.00 0.00 24 T 7.72 4.32 4.20 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 1.18 0.00 0.00 25 E 7.66 4.36 0.00 1.91 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 2.22 2.24 0.00 26 N 7.29 4.24 0.00 2.43 2.38 0.00 0.00 6.91 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 27 P 0.00 4.33 0.00 2.17 2.11 0.00 3.60 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 2.13 1.93 0.00 28 V 7.89 3.62 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 0.70 0.00 0.00 1.09 0.00 0.00 29 V 7.61 3.55 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 0.76 0.00 0.00 30 Q 7.76 4.08 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.33 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 *32 L 8.07 3.95 0.00 1.61 1.35 0.53 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.12 4.31 0.00 4.03 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 34 Q 8.04 4.41 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 35 A 7.56 4.97 1.07 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 36 S 8.68 4.85 0.00 4.23 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 37 F 9.07 4.25 0.00 3.11 3.16 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 38 A 8.32 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.07 3.99 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 40 I 7.59 3.79 1.94 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 1.34 -0.36 0.83 0.00 0.00 41 A 7.98 4.06 1.30 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 0.00 0.00 42 Y 8.21 4.49 0.00 3.02 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.77 1.94 0.00 1.78 0.00 0.00 1.23 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.40 7.81 112 N 7.98 4.74 0.00 2.73 2.86 0.00 0.00 6.92 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 0.00 113 T 7.62 4.02 4.31 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 1.23 0.00 0.00 *115 P 0.00 4.37 0.00 2.23 2.11 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 116 S 9.12 4.52 0.00 4.20 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 0.00 117 V 8.36 3.57 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.96 0.00 0.00 118 A 8.67 4.21 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 0.00 119 T 7.89 4.22 4.47 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 1.23 0.00 0.00 120 S 8.50 4.16 0.00 4.09 3.94 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 0.00 129 L 8.12 4.29 0.00 2.13 1.95 0.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.21 4.16 0.00 3.08 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 0.00 131 D 7.45 4.84 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 4.23 0.00 1.77 1.54 0.00 3.09 0.00 0.00 2.84 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 0.00 133 Q 8.18 4.27 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 134 V 8.06 3.33 1.55 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 -0.05 0.00 0.00 -0.07 0.00 0.00 135 D 7.88 4.56 0.00 3.27 3.27 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 0.00 136 Y 7.97 4.10 0.00 3.01 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 0.00 137 V 8.04 3.29 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 0.38 0.00 0.00 0.77 0.00 0.00 138 L 8.34 4.25 0.00 2.05 2.11 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.51 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 7.65 4.08 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 1.36 0.00 0.00 142 Y 8.41 4.22 0.00 3.49 3.34 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 0.00 143 A 7.95 3.31 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.07 3.62 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.81 1.03 0.00 0.00 145 E 8.06 4.11 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 2.37 2.20 0.00 146 A 7.66 3.87 1.20 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 0.00 0.00 147 T 7.68 3.90 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 0.35 0.00 0.00 148 S 7.64 4.17 0.00 3.93 4.01 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 0.00 149 I 7.63 3.82 1.85 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 0.61 0.89 0.00 0.00 150 P 0.00 4.22 0.00 2.23 2.33 0.00 3.69 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 2.02 2.13 0.00 151 E 8.85 4.13 0.00 2.36 2.36 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 2.70 2.86 0.00 152 L 8.18 4.08 0.00 1.69 1.66 0.92 0.76 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 0.00 153 T 8.09 3.94 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 154 L 7.81 3.83 0.00 1.78 1.42 0.40 0.54 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 0.00 155 I 7.61 3.68 1.99 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.51 1.09 0.00 0.00 156 V 7.49 3.16 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 0.86 0.00 0.00 -0.04 0.00 0.00 157 K 7.66 3.91 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.50 7.81 158 L 7.90 4.05 0.00 1.93 1.74 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.17 3.72 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 1.23 0.00 0.00 1.17 0.00 0.00 160 E 8.79 4.18 0.00 2.23 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 2.54 2.51 0.00 161 W 8.26 4.02 0.00 3.45 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.57 7.81 170 D 8.02 4.41 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 3.76 0.00 1.58 1.26 0.92 0.68 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 0.00 172 Q 8.13 4.07 0.00 2.28 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 173 Y 8.02 4.09 0.00 3.12 3.17 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 0.00 0.00 0.00 174 F 8.18 4.09 0.00 3.07 2.88 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 0.00 175 F 8.20 4.43 0.00 3.14 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 0.00 176 S 8.29 4.13 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 K 7.67 3.97 0.00 1.43 1.63 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.74 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.77 0.69 7.81 178 H 7.65 4.32 0.00 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0.00 0.00 204 G 8.34 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 E 8.37 4.22 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 206 F 8.79 4.43 0.00 3.31 3.35 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 0.00 207 A 8.75 4.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 A 8.33 4.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 G 7.37 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 F 7.51 4.03 0.00 2.91 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 R 8.37 4.14 0.00 2.07 2.20 0.00 3.41 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 212 A 7.82 4.25 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 *214 I 7.68 3.99 1.40 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.22 0.19 0.00 0.00 215 D 8.52 4.67 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 A 7.97 4.26 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *218 Q 8.18 4.28 0.00 2.37 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 219 V 8.10 3.90 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 1.20 0.00 0.00 1.01 0.00 0.00 220 W 8.32 4.05 0.00 3.37 3.06 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 0.00 221 W 8.35 3.71 0.00 3.48 3.06 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 0.00 222 Q 8.12 3.96 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 223 E 8.29 3.97 0.00 1.94 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 2.31 2.43 0.00 224 L 7.84 3.67 0.00 0.72 1.12 0.72 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 225 A 7.86 3.93 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 0.00 226 Q 7.81 3.87 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 227 E 8.12 3.96 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 228 A 7.92 3.96 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 0.00 229 I 7.65 4.25 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.87 0.00 0.00 230 S 7.46 4.17 0.00 3.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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.