NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9482 8.2548 109.1071 45.7217 0.0000 175.3705 17 I 3.5792 7.1737 120.1185 63.3446 37.2108 175.7326 18 T 3.8298 7.8319 116.3707 62.7407 69.8481 174.4502 19 G 3.6354 7.2224 112.7282 45.1130 0.0000 170.3743 20 T 4.7006 7.5355 116.3471 61.5377 70.6522 174.1194 21 W 4.9090 8.9891 125.8009 55.0398 33.5372 174.0912 22 Y 6.0494 9.7169 118.9745 55.5294 41.8464 175.2461 23 N 5.6184 8.9750 120.8622 50.4971 39.9727 175.5926 24 Q 4.0246 8.5975 115.8621 58.9715 28.6748 177.3684 25 L 4.1062 8.0408 117.0228 55.6288 42.0355 177.7164 26 G 4.0045 8.3682 106.8963 45.2945 0.0000 173.8792 27 S 4.5637 8.4442 115.8233 58.7030 64.4152 173.2512 28 T 4.7900 8.7230 119.3903 61.7633 71.2053 173.0459 29 F 4.9593 9.1180 129.6838 56.6088 41.6747 173.7836 30 I 4.6784 8.4466 128.7127 59.3965 39.0532 175.5117 31 V 4.6935 8.2568 126.4597 59.8232 35.2401 174.3722 32 T 4.6732 8.7533 112.6874 59.8235 71.5195 172.5354 33 A 4.4606 8.5896 128.6912 49.9628 19.8572 176.9804 34 G 3.7996 9.2299 111.5507 45.5499 0.0000 173.7821 35 A 4.0956 8.5770 123.3631 54.7163 18.4588 178.5676 36 D 4.4420 7.9050 113.0703 53.5602 40.2563 177.0299 37 G 3.4928 8.1154 108.2525 44.8295 0.0000 173.1367 38 A 4.7740 8.2724 122.8528 51.4737 20.1258 176.6221 39 L 5.2859 8.9796 122.2010 53.2131 44.4528 175.8915 40 T 4.9815 9.6162 112.5796 59.4840 72.7961 173.9640 41 G 3.6998 6.6067 107.0086 45.7551 0.0000 171.6568 42 T 5.2801 8.0964 111.4629 60.2149 72.9220 172.7465 43 Y 5.0447 9.2457 123.6186 55.8547 42.5201 173.7323 44 E 5.1333 8.8367 126.7708 54.4884 32.5711 174.3497 45 S 4.8539 9.3635 122.3837 57.7007 63.3605 174.9744 46 A 4.3032 8.5448 130.3701 51.2314 15.5806 175.8276 *52 K 3.9378 7.7185 122.2646 55.3205 33.7459 174.8426 53 R 4.7269 8.1612 118.4400 56.0303 31.0559 176.0241 54 Y 4.7901 9.0184 119.4049 55.8305 41.6618 175.4423 55 V 4.3160 8.5787 122.8986 62.9966 32.5828 175.0448 56 L 5.6518 9.0761 126.8684 53.2653 43.9693 175.3473 57 T 5.0210 8.2548 109.3235 60.9083 72.8424 173.3681 58 G 4.6902 8.5541 107.6862 46.5920 0.0000 172.1896 59 R 5.6125 8.7370 117.5988 55.0061 34.8783 174.0797 60 Y 5.2980 8.6822 118.5451 55.3560 41.8262 174.5675 61 D 4.3051 9.0652 120.7266 54.0373 40.6776 176.8075 62 S 4.2970 8.1141 120.7012 58.8936 63.9803 174.5709 63 A 4.6471 7.9668 123.5715 49.9920 18.6159 173.7320 64 P 4.8886 0.0000 0.0000 60.7262 32.7411 177.2452 65 A 4.1830 8.4083 122.0293 53.0560 18.6749 177.4054 66 T 4.5949 8.3956 109.0891 61.6342 69.1211 174.6284 67 D 4.7129 8.3714 118.7740 53.8229 39.5709 176.9614 68 G 3.9919 8.3277 107.4917 45.5857 0.0000 174.3539 69 S 4.3651 7.8315 115.5499 57.9030 63.4827 174.1357 70 G 4.0071 8.3835 110.2635 46.5068 0.0000 172.6509 71 T 4.8178 8.9677 116.7112 61.4813 70.2931 174.8107 72 A 4.8365 8.6913 129.3002 52.2400 19.9033 175.8542 73 L 5.0380 8.9984 120.2374 55.5495 44.6207 174.0065 74 G 4.6539 9.2487 105.2933 45.7087 0.0000 172.1336 75 W 5.8516 8.6418 117.2886 55.5548 32.5505 173.4533 76 T 5.1595 9.2200 116.4502 61.7692 72.0218 173.3039 77 V 4.6825 8.7324 124.9106 60.9331 34.1909 173.9688 78 A 4.6250 8.3890 129.8171 49.9315 19.9736 177.5493 79 W 4.2041 8.7517 125.7969 56.6877 28.9814 176.3920 80 K 5.2448 8.0662 118.6683 54.6863 34.0762 174.3200 81 N 5.0422 9.0045 123.3576 51.7880 39.7532 174.2885 82 N 4.3513 8.7709 113.7158 56.2834 38.7353 175.3883 83 Y 4.5216 8.2974 114.7909 58.9048 39.4689 175.9993 84 R 4.7379 7.7975 117.2566 54.9362 34.4646 173.9491 85 N 5.2103 8.4823 118.1836 52.4565 40.5498 174.0143 86 A 4.1663 9.0231 128.8328 52.2385 19.7892 176.3164 87 H 4.1558 8.5358 113.6094 55.7339 26.6839 173.1426 88 S 5.1948 7.3485 112.1264 57.9134 66.8575 175.0385 89 A 5.1175 9.0686 121.4152 50.9243 22.7937 175.2152 90 T 4.8779 8.8463 118.6650 61.7293 71.6221 173.4141 91 T 4.8528 8.4210 115.8278 59.6200 71.7475 172.8255 92 W 4.9279 8.5755 125.2961 54.8185 31.5118 174.8177 93 S 4.9892 8.7534 119.6878 56.8507 64.8517 173.1047 94 G 4.5825 8.6512 113.1654 46.5124 0.0000 171.6686 95 Q 5.2955 8.4058 117.6960 54.7703 32.8414 173.6512 96 Y 4.7234 9.2353 123.8428 57.3123 40.5112 174.1986 97 V 4.2032 8.5496 127.1543 60.5020 33.5944 174.7305 98 G 3.9127 8.4861 115.4959 46.6471 0.0000 171.3302 99 G 4.0297 8.3390 110.4373 44.7252 0.0000 172.9752 100 A 4.0350 8.9910 121.8368 54.6542 18.0653 177.6634 101 E 4.4789 7.8288 116.1671 53.9837 29.9373 175.3863 102 A 4.4202 8.3903 125.3055 52.1811 19.4575 176.6218 103 R 5.2331 8.8702 118.8651 54.5427 35.0552 174.6861 104 I 4.8724 8.8607 122.6935 59.8779 39.8988 174.2199 105 N 5.4531 8.9841 126.0368 52.0329 40.2413 174.7071 106 T 5.3220 9.1882 113.1463 60.1323 73.0379 172.7203 107 Q 5.0753 9.0489 121.0030 53.9379 32.5742 174.7084 108 W 5.4363 8.4501 118.0113 54.7441 32.3703 173.8057 109 L 5.1543 8.7261 120.4030 52.9655 44.7365 175.2687 110 L 4.8938 9.3325 126.9821 53.8222 44.0913 174.8223 111 T 4.9306 8.7063 124.3551 62.1773 70.3881 174.3621 112 S 4.9606 8.7733 123.3514 56.8739 64.5659 174.5601 113 G 3.8644 8.7114 112.0700 46.7663 0.0000 172.9819 114 T 4.8011 8.3178 113.9246 59.4459 72.3221 173.2566 115 T 4.2333 8.0690 111.8719 61.1598 69.9457 175.2958 116 E 3.9818 8.7678 121.0756 59.5337 29.1476 179.4751 117 A 4.1621 8.0592 119.5027 54.4631 18.7866 178.2003 118 N 4.6916 7.7549 112.5127 53.2957 39.0283 176.8511 119 A 4.1981 8.1214 126.0519 54.1444 18.1709 180.0403 120 W 4.2754 8.3464 114.0148 58.6523 28.2949 176.8105 121 K 3.9848 6.3897 117.4771 55.9966 32.1445 177.5871 122 S 4.0975 7.7794 116.9450 61.1890 63.3649 173.3586 123 T 4.9876 7.5017 117.0025 61.6542 70.7880 173.7123 124 L 4.6470 8.9132 127.4187 53.8096 43.6715 176.3192 125 V 4.3853 7.8362 120.4730 60.3432 34.4413 175.2541 126 G 3.1914 6.3275 108.0246 45.8606 0.0000 170.8699 127 H 5.3191 8.1207 114.7235 54.2521 31.5731 172.6315 128 D 5.2952 9.2538 121.9599 52.6926 44.5913 174.5196 129 T 5.2043 8.9744 117.4084 60.3576 70.1682 172.5989 130 F 5.8504 9.7451 127.6815 56.1218 42.1040 174.6330 131 T 5.6357 9.1905 112.0098 59.9515 72.4802 174.6934 132 K 4.1110 8.5923 119.0243 56.4350 32.3600 177.1406 133 V 4.3160 7.1647 118.3842 60.4404 33.0886 174.9588 134 K 3.8263 8.1473 128.5927 55.2609 32.5889 174.7213 135 P 4.4180 0.0000 0.0000 62.8800 31.2444 176.1394 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 16 G 8.25 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 17 I 7.17 3.58 1.31 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.29 0.49 0.00 0.00 18 T 7.83 3.83 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 1.13 0.00 0.00 19 G 7.22 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.54 4.70 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 0.80 0.00 0.00 21 W 8.99 4.91 0.00 3.27 3.33 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 22 Y 9.72 6.05 0.00 2.95 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 23 N 8.98 5.62 0.00 2.39 1.48 0.00 0.00 6.49 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.60 4.02 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.04 4.11 0.00 1.91 1.82 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.37 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 0.00 0.00 0.00 27 S 8.44 4.56 0.00 4.08 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 28 T 8.72 4.79 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 1.02 0.00 0.00 29 F 9.12 4.96 0.00 2.69 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 30 I 8.45 4.68 1.73 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 1.09 0.37 0.75 0.00 0.00 31 V 8.26 4.69 0.67 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 0.08 0.00 0.00 0.53 0.00 0.00 32 T 8.75 4.67 4.15 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 1.10 0.00 0.00 33 A 8.59 4.46 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.23 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 0.00 0.00 0.00 35 A 8.58 4.10 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 36 D 7.91 4.44 0.00 2.78 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 37 G 8.12 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.77 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 39 L 8.98 5.29 0.00 1.67 1.52 1.16 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.62 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 1.21 0.00 0.00 41 G 6.61 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.10 5.28 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 1.21 0.00 0.00 43 Y 9.25 5.04 0.00 2.98 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 44 E 8.84 5.13 0.00 2.11 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 45 S 9.36 4.85 0.00 4.34 3.84 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 46 A 8.54 4.30 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 *52 K 7.72 3.94 0.00 1.34 1.59 0.00 2.15 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.07 7.81 53 R 8.16 4.73 0.00 1.74 1.88 0.00 3.20 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 54 Y 9.02 4.79 0.00 2.83 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 55 V 8.58 4.32 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 9.08 5.65 0.00 2.09 1.81 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.25 5.02 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 1.24 0.00 0.00 58 G 8.55 4.69 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 0.00 0.00 0.00 59 R 8.74 5.61 0.00 1.77 1.80 0.00 3.30 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.68 5.30 0.00 3.07 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 9.07 4.31 0.00 2.80 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 62 S 8.11 4.30 0.00 3.86 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 63 A 7.97 4.65 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 64 P 0.00 4.89 0.00 2.27 2.16 0.00 3.44 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 65 A 8.41 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 66 T 8.40 4.59 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 1.24 0.00 0.00 67 D 8.37 4.71 0.00 2.78 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 68 G 8.33 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 69 S 7.83 4.37 0.00 3.96 3.84 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 70 G 8.38 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 0.00 0.00 0.00 71 T 8.97 4.82 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 72 A 8.69 4.84 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 73 L 9.00 5.04 0.00 2.08 1.94 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.25 4.65 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 0.00 0.00 0.00 75 W 8.64 5.85 0.00 3.53 3.28 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 76 T 9.22 5.16 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 1.24 0.00 0.00 77 V 8.73 4.68 1.48 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 -0.44 0.00 0.00 0.79 0.00 0.00 78 A 8.39 4.62 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 79 W 8.75 4.20 0.00 3.32 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 80 K 8.07 5.24 0.00 1.95 1.76 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.46 7.81 81 N 9.00 5.04 0.00 2.78 2.52 0.00 0.00 6.61 6.67 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 82 N 8.77 4.35 0.00 1.97 2.34 0.00 0.00 6.69 7.46 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 83 Y 8.30 4.52 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 84 R 7.80 4.74 0.00 2.28 1.95 0.00 3.34 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 85 N 8.48 5.21 0.00 2.65 2.60 0.00 0.00 6.98 7.96 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 86 A 9.02 4.17 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 87 H 8.54 4.16 0.00 3.35 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.35 5.19 0.00 3.95 3.93 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 0.00 0.00 0.00 89 A 9.07 5.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.85 4.88 3.62 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 -0.50 0.00 0.00 91 T 8.42 4.85 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 1.14 0.00 0.00 92 W 8.58 4.93 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.75 4.99 0.00 3.79 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.65 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.41 5.30 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.24 4.72 0.00 3.03 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 97 V 8.55 4.20 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 0.87 0.00 0.00 0.93 0.00 0.00 98 G 8.49 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 99 G 8.34 4.03 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 0.00 0.00 0.00 100 A 8.99 4.04 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 0.00 101 E 7.83 4.48 0.00 1.97 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 0.00 2.23 2.28 0.00 102 A 8.39 4.42 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 0.00 103 R 8.87 5.23 0.00 1.75 1.88 0.00 3.40 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 104 I 8.86 4.87 1.63 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.36 0.98 0.00 0.00 105 N 8.98 5.45 0.00 2.74 2.82 0.00 0.00 6.11 7.21 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 0.00 106 T 9.19 5.32 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 1.49 0.00 0.00 107 Q 9.05 5.08 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 108 W 8.45 5.44 0.00 2.58 2.29 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 0.00 109 L 8.73 5.15 0.00 1.51 1.53 0.87 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.33 4.89 0.00 1.56 1.69 0.89 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.71 4.93 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 1.19 0.00 0.00 112 S 8.77 4.96 0.00 3.67 3.74 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 0.00 113 G 8.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.32 4.80 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 115 T 8.07 4.23 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 1.21 0.00 0.00 116 E 8.77 3.98 0.00 2.02 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 2.41 2.33 0.00 117 A 8.06 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.75 4.69 0.00 2.64 2.69 0.00 0.00 6.80 9.14 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 0.00 119 A 8.12 4.20 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 0.00 120 W 8.35 4.28 0.00 3.58 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 0.00 121 K 6.39 3.98 0.00 1.02 0.74 0.00 1.19 0.00 0.00 1.19 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.75 7.81 122 S 7.78 4.10 0.00 4.15 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 0.00 123 T 7.50 4.99 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 1.22 0.00 0.00 124 L 8.91 4.65 0.00 1.81 1.75 0.93 0.90 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 0.00 125 V 7.84 4.39 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 0.54 0.00 0.00 0.69 0.00 0.00 126 G 6.33 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.12 5.32 0.00 3.17 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.25 5.30 0.00 3.08 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 0.00 129 T 8.97 5.20 4.34 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 1.27 0.00 0.00 130 F 9.75 5.85 0.00 3.07 3.33 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 0.00 131 T 9.19 5.64 4.40 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 1.40 0.00 0.00 132 K 8.59 4.11 0.00 1.46 1.54 0.00 1.34 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.21 7.81 133 V 7.16 4.32 2.11 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 0.72 0.00 0.00 0.92 0.00 0.00 134 K 8.15 3.83 0.00 0.79 1.21 0.00 1.21 0.00 0.00 1.45 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.00 7.81 135 P 0.00 4.42 0.00 2.09 1.97 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.