NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4589 8.1749 117.3744 63.5462 69.9411 173.2018 2 S 4.5227 9.7622 121.1253 55.2091 66.3526 171.5475 3 I 5.1461 8.1574 117.9919 59.6030 41.3632 173.9603 4 M 4.8836 8.7622 118.7861 54.3974 34.8609 173.1817 5 A 5.2065 8.4825 120.9650 50.2430 22.3391 175.5700 6 V 4.4979 9.0120 122.2874 61.1493 34.5446 174.8445 7 T 4.8646 8.7398 118.5957 61.5341 70.1563 173.6886 8 F 4.9469 8.8763 117.7149 55.5038 41.4311 175.5883 9 K 4.0508 8.7043 121.6865 59.7757 32.0151 176.5465 10 D 4.6277 7.8838 114.6546 53.7448 42.9854 176.8466 11 G 4.3781 5.6734 112.5558 45.0607 0.0000 175.7248 12 V 5.0911 7.8961 117.1790 60.7553 34.0165 172.2122 13 I 4.7250 8.9124 122.8060 59.5810 40.9832 174.2651 14 L 5.1871 8.5925 125.2362 52.9968 44.2062 175.9583 15 G 4.3618 9.1328 109.4401 44.8958 0.0000 170.9489 16 A 5.3531 8.4339 119.7780 51.9527 22.1542 175.8299 17 D 4.7760 8.5649 119.8552 52.1686 42.1590 176.3357 18 S 4.9119 8.3356 110.5010 57.0681 64.6747 172.7742 19 R 5.0510 8.4587 121.4692 55.5329 31.1645 175.4123 20 T 4.7873 8.7963 116.9934 60.0225 71.3043 173.1660 21 T 5.0602 8.6369 115.3885 60.0317 72.5017 174.1686 22 T 4.4680 8.6961 112.7274 60.4561 70.0393 174.3525 23 G 4.0508 8.4287 120.8711 46.5849 0.0000 173.1278 24 A 4.3973 8.5503 126.2500 52.3138 19.7260 176.6621 25 Y 4.3786 7.5587 117.2195 56.8389 39.4927 174.8322 26 I 4.1948 7.2235 127.8047 59.5806 36.1844 175.2177 27 A 4.0997 8.1247 128.9956 54.4902 18.8404 177.7722 28 N 4.8573 8.0976 114.0990 52.3949 41.9420 174.6028 29 R 4.5721 8.6069 120.5064 56.2710 30.3156 176.3568 30 V 4.5577 8.3240 112.0515 61.3536 33.0128 176.0878 31 T 3.9318 8.1994 117.2872 64.3106 69.7233 173.1476 32 D 4.9913 8.6270 124.4454 52.7870 41.5375 175.6577 33 K 4.3178 8.6661 124.3797 56.8549 33.5964 176.4727 34 L 4.8580 8.1561 121.2568 54.0946 41.9554 175.8624 35 T 4.5090 8.8039 121.6231 61.6158 71.0148 173.9862 36 R 3.2742 7.8446 126.6858 55.1235 30.0020 176.2122 37 V 4.0731 8.0426 119.4550 62.1715 33.1279 175.1116 38 H 4.6011 7.7402 117.2514 55.1590 32.3296 173.5981 39 D 4.5038 7.9186 122.7311 56.7962 40.9770 179.9364 40 K 5.0092 8.0938 117.4199 56.1476 33.8456 175.6261 41 I 5.0490 8.4630 121.1540 59.8881 40.9555 174.9362 42 W 5.5332 9.4884 127.1393 55.0715 33.4398 174.0630 43 C 5.2635 9.3124 114.1972 57.5631 33.1365 172.6106 44 C 5.3740 9.2268 117.7322 58.1521 30.5157 173.1800 45 R 5.0153 8.2594 122.4319 54.6079 31.6289 175.9638 46 S 4.5114 8.9023 116.6500 57.7226 66.6348 172.8918 47 G 4.0351 8.8755 105.3140 44.0515 0.0000 173.7780 48 S 4.0937 9.2974 118.0788 58.1095 62.8233 175.2617 49 A 4.0082 8.9669 130.3181 55.3475 18.1567 178.8350 50 A 3.9442 7.9923 118.5827 55.4295 18.4322 179.5098 51 D 4.2847 8.3743 117.8293 57.8220 40.9572 179.1619 52 T 3.9928 8.4679 110.6674 64.8187 68.6026 176.5678 53 Q 3.9682 8.4080 120.7487 58.7029 28.8189 178.4879 54 A 3.9883 7.9270 121.6316 55.2878 18.3314 179.3995 55 I 3.6027 8.2010 118.4002 64.5893 37.2673 178.1605 56 A 4.0374 8.5535 121.5755 55.6854 18.3112 179.2919 57 D 4.3707 8.4308 117.4247 57.6717 40.7903 179.3581 58 I 3.7378 7.8296 120.1508 64.2407 37.0681 178.5706 59 V 3.3772 7.8177 119.3229 66.0123 31.2654 177.5922 60 Q 4.1589 8.4188 120.8668 58.6900 28.8055 177.8517 61 Y 4.0676 7.9380 120.1413 61.1803 38.8560 177.8765 62 H 3.8261 8.3194 117.1389 58.8405 28.7114 177.8858 63 L 3.9931 8.2958 121.1300 57.3671 41.4265 179.1828 64 E 3.8996 8.2177 119.6721 59.1789 29.5090 178.6533 65 L 3.8072 7.6541 120.4442 57.8870 41.9680 178.1984 66 Y 3.7498 8.0362 119.6236 60.9655 38.5513 178.2049 67 T 4.6297 7.9125 116.6646 66.4073 68.6559 176.1576 68 S 4.1604 7.5950 115.5995 61.5761 62.8966 176.2174 69 Q 4.0398 7.0259 118.3726 56.9011 29.1244 176.2744 70 Y 4.5246 7.6073 115.5905 57.7302 39.2842 175.5113 *72 G 4.1190 7.5150 108.8421 45.5225 0.0000 172.0635 73 T 4.2229 8.4922 116.0208 63.1309 68.8475 172.4378 74 P 4.5860 0.0000 0.0000 61.7416 32.8945 176.7434 75 S 4.3517 8.1890 115.4573 58.5623 64.9990 175.5821 76 T 3.9251 8.3415 119.4937 66.6326 68.3132 176.5847 77 E 3.9372 8.1041 121.0658 59.5208 29.6793 178.8962 78 T 3.8219 7.7873 115.6180 66.3635 68.5723 176.5775 79 A 3.9112 7.8656 122.2344 55.2338 18.4600 179.6260 80 A 4.1825 8.2636 119.1282 55.1667 18.2722 179.8567 81 S 4.0730 7.8970 111.7006 61.3144 62.4251 176.5360 82 V 3.4905 7.7649 121.0171 65.9288 31.3039 177.7943 83 F 3.9952 8.0009 117.3131 60.5391 38.7397 177.4413 84 K 3.9389 8.1500 118.9431 59.6804 32.0161 178.0723 85 E 3.9568 8.4586 119.6595 59.5010 29.3836 178.9636 86 L 4.0304 7.9859 118.7331 58.0453 41.5439 179.2953 87 C 4.2238 8.4296 115.8599 62.8830 28.4587 175.3694 88 Y 4.2231 8.9036 121.7431 60.8539 38.3258 177.4567 89 E 3.9145 8.0612 118.4524 58.1865 29.4304 176.8347 90 N 5.0262 7.8203 116.2627 52.3073 39.4653 176.7155 91 K 3.7409 7.7395 120.4889 60.0912 32.8135 177.9797 92 D 4.2852 7.9116 118.8239 57.0342 40.9458 177.4162 *94 N 5.1347 7.9005 113.6030 52.4969 40.1165 173.6954 95 L 5.1383 7.4444 117.1245 53.4633 45.3796 176.8453 96 T 4.7328 8.5890 116.8141 61.3395 69.2683 171.4244 97 A 5.0450 8.2581 124.0396 49.7380 22.8135 175.6846 98 G 4.0216 9.4026 109.7235 44.6069 0.0000 171.6650 99 I 4.9920 8.3349 126.7538 59.0353 40.2935 175.2933 100 I 4.2972 8.4279 127.3319 59.7030 38.9983 174.6230 101 V 4.7087 8.2914 126.9975 61.0814 33.4199 174.8299 102 A 4.6725 9.2499 129.2426 50.5476 22.1695 175.1483 103 G 4.7252 8.7910 108.4412 43.5930 0.0000 170.7659 104 Y 4.6665 9.2365 121.5495 55.5312 40.8611 175.1057 105 D 4.3387 7.9043 124.9809 54.2038 41.4866 175.4237 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 1 T 8.17 4.46 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 2 S 9.76 4.52 0.00 3.70 3.72 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 3 I 8.16 5.15 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 0.92 0.00 0.00 4 M 8.76 4.88 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 5 A 8.48 5.21 1.21 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 6 V 9.01 4.50 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.94 0.00 0.00 7 T 8.74 4.86 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 1.23 0.00 0.00 8 F 8.88 4.95 0.00 3.26 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.70 4.05 0.00 1.84 2.08 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.55 7.81 10 D 7.88 4.63 0.00 2.68 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 11 G 5.67 4.38 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 0.00 0.00 0.00 12 V 7.90 5.09 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 0.73 0.00 0.00 1.03 0.00 0.00 13 I 8.91 4.72 1.87 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.85 0.00 0.00 14 L 8.59 5.19 0.00 1.43 1.56 0.93 0.94 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 15 G 9.13 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 0.00 0.00 0.00 0.00 16 A 8.43 5.35 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 17 D 8.56 4.78 0.00 2.68 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 18 S 8.34 4.91 0.00 3.93 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 19 R 8.46 5.05 0.00 1.82 2.05 0.00 3.17 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 20 T 8.80 4.79 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 21 T 8.64 5.06 4.45 0.00 0.00 0.00 0.00 0.00 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 22 T 8.70 4.47 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 23 G 8.43 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 24 A 8.55 4.40 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 25 Y 7.56 4.38 0.00 3.08 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 26 I 7.22 4.19 1.54 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 0.80 0.00 0.00 27 A 8.12 4.10 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 28 N 8.10 4.86 0.00 2.65 2.59 0.00 0.00 6.78 8.88 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 29 R 8.61 4.57 0.00 1.89 1.93 0.00 3.00 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 30 V 8.32 4.56 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 0.70 0.00 0.00 1.00 0.00 0.00 31 T 8.20 3.93 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 1.23 0.00 0.00 32 D 8.63 4.99 0.00 2.70 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 33 K 8.67 4.32 0.00 1.79 1.84 0.00 1.86 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.49 7.81 34 L 8.16 4.86 0.00 1.90 1.91 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.80 4.51 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 1.18 0.00 0.00 36 R 7.84 3.27 0.00 0.67 1.09 0.00 3.10 0.00 0.00 2.92 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 37 V 8.04 4.07 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 0.97 0.00 0.00 1.10 0.00 0.00 38 H 7.74 4.60 0.00 3.15 3.13 0.00 5.91 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.92 4.50 0.00 2.71 2.79 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 0.00 0.00 0.00 40 K 8.09 5.01 0.00 1.86 2.06 0.00 1.79 0.00 0.00 2.09 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.57 7.81 41 I 8.46 5.05 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 1.03 0.00 0.00 42 W 9.49 5.53 0.00 3.21 3.24 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 43 C 9.31 5.26 0.00 2.82 2.89 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 44 C 9.23 5.37 0.00 2.81 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 45 R 8.26 5.02 0.00 1.73 1.86 0.00 3.17 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 S 8.90 4.51 0.00 3.84 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 47 G 8.88 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 48 S 9.30 4.09 0.00 3.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.97 4.01 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 50 A 7.99 3.94 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 51 D 8.37 4.28 0.00 2.85 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 52 T 8.47 3.99 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 53 Q 8.41 3.97 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 54 A 7.93 3.99 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 55 I 8.20 3.60 2.19 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 1.79 1.04 1.10 0.00 0.00 56 A 8.55 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.43 4.37 0.00 2.86 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 58 I 7.83 3.74 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.88 1.01 0.00 0.00 59 V 7.82 3.38 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -0.09 0.00 0.00 60 Q 8.42 4.16 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 61 Y 7.94 4.07 0.00 3.09 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 62 H 8.32 3.83 0.00 3.29 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.30 3.99 0.00 1.62 1.59 0.87 0.46 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 64 E 8.22 3.90 0.00 2.07 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 0.00 2.24 2.28 0.00 65 L 7.65 3.81 0.00 1.32 1.31 0.80 0.57 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 66 Y 8.04 3.75 0.00 3.26 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 67 T 7.91 4.63 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 1.27 0.00 0.00 68 S 7.60 4.16 0.00 3.91 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 69 Q 7.03 4.04 0.00 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.09 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 70 Y 7.61 4.52 0.00 2.20 2.54 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 0.00 *72 G 7.51 4.12 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 0.00 73 T 8.49 4.22 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 1.29 0.00 0.00 74 P 0.00 4.59 0.00 1.71 1.15 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 75 S 8.19 4.35 0.00 4.04 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 76 T 8.34 3.93 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 77 E 8.10 3.94 0.00 2.01 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 2.36 2.39 0.00 78 T 7.79 3.82 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 0.81 0.00 0.00 79 A 7.87 3.91 1.44 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 80 A 8.26 4.18 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 81 S 7.90 4.07 0.00 4.03 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 82 V 7.76 3.49 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 0.78 0.00 0.00 0.86 0.00 0.00 83 F 8.00 4.00 0.00 3.34 3.08 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 84 K 8.15 3.94 0.00 1.96 2.11 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.45 7.81 85 E 8.46 3.96 0.00 2.31 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 2.32 2.45 0.00 86 L 7.99 4.03 0.00 1.94 1.72 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.43 4.22 0.00 3.06 3.08 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 88 Y 8.90 4.22 0.00 2.96 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 89 E 8.06 3.91 0.00 2.35 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 2.37 2.41 0.00 90 N 7.82 5.03 0.00 2.90 2.74 0.00 0.00 6.61 9.02 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 91 K 7.74 3.74 0.00 1.86 2.07 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.37 1.31 7.81 92 D 7.91 4.29 0.00 2.73 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 *94 N 7.90 5.13 0.00 2.73 2.88 0.00 0.00 7.06 7.85 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 95 L 7.44 5.14 0.00 1.45 1.54 0.99 0.75 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 96 T 8.59 4.73 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 1.22 0.00 0.00 97 A 8.26 5.04 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 98 G 9.40 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 99 I 8.33 4.99 1.64 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 1.27 0.69 0.34 0.00 0.00 100 I 8.43 4.30 1.84 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 1.08 0.86 0.90 0.00 0.00 101 V 8.29 4.71 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 0.89 0.00 0.00 0.54 0.00 0.00 102 A 9.25 4.67 1.25 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 0.00 103 G 8.79 4.73 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 0.00 104 Y 9.24 4.67 0.00 2.92 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 0.00 105 D 7.90 4.34 0.00 2.49 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.