NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3172 8.1731 120.6413 52.9517 42.0019 175.2946 3 G 4.7549 8.6306 107.3141 43.9470 0.0000 167.1086 4 E 4.8461 8.4523 119.0523 54.4299 35.4825 172.6354 5 V 3.9710 8.1953 120.2137 61.8877 32.9709 174.5057 6 F 5.1218 8.1661 121.2534 55.2398 42.2443 173.2544 7 V 5.0807 8.4423 117.7560 61.1868 34.0402 174.2081 8 L 4.7255 8.6392 126.8822 54.6888 44.5006 175.0783 9 D 4.8668 8.7007 120.5090 53.6491 40.5255 176.2032 10 E 4.4410 9.0998 123.8537 55.4060 31.7024 175.9900 11 E 4.5807 8.3799 121.0907 55.4662 31.2102 175.7773 12 E 4.9066 8.3744 121.9129 56.0424 31.3112 176.1787 13 I 4.2870 7.7017 122.4755 60.0299 40.7090 174.6590 14 R 4.5087 8.6219 128.6360 56.6041 31.4088 175.0609 15 I 4.5289 8.9859 117.4253 60.0044 41.6588 172.9584 16 I 5.1377 9.2378 117.2085 59.2520 40.3863 174.4124 17 Q 5.3520 8.7975 121.6817 55.0266 32.9764 173.3000 18 T 5.0754 8.3786 108.8018 60.1328 73.0149 173.1758 19 E 4.6587 8.7916 121.4218 55.9727 30.5054 176.7793 20 A 4.3535 8.4850 120.9010 52.0450 19.4859 178.5557 21 E 3.7745 9.3069 112.8832 56.6438 27.4228 175.3626 22 G 3.9636 8.2396 106.8804 44.8556 0.0000 173.9732 23 I 3.7277 8.0261 120.8785 60.9221 38.2047 174.8529 24 G 3.8394 8.1648 111.5692 41.4783 0.0000 172.5276 25 P 3.7684 0.0000 0.0000 65.3007 31.1935 178.3794 26 E 3.7798 7.9381 117.2696 59.6558 29.3135 178.2136 27 N 4.1794 7.3372 113.9513 56.7070 38.7401 176.9729 28 V 3.7858 7.4541 117.3488 64.4504 31.8187 176.9436 29 L 4.4784 8.0667 116.9237 55.2403 42.1987 175.0183 30 N 4.9140 7.5915 115.4009 51.7431 41.9909 173.6499 31 A 3.7295 8.6683 125.8194 52.8299 18.2055 178.2801 32 S 4.9632 8.3718 114.1565 57.8256 64.4938 171.5131 *33 Y 4.7178 7.6405 122.8283 57.1521 37.6676 180.1561 *50 S 4.4236 9.1393 108.0920 59.4840 64.9536 173.4307 51 Y 4.6008 6.7776 118.2447 58.8000 41.1752 171.6989 52 G 3.5064 7.4291 104.8837 48.7959 0.0000 172.2156 53 A 4.7160 6.9754 121.2787 51.8845 23.4731 175.8985 54 T 5.7934 8.7341 108.5132 59.5844 72.8904 172.7831 55 F 5.3016 7.9247 115.7362 55.5731 41.5940 173.0311 56 S 4.3319 8.9617 114.9422 58.3674 62.6878 175.0999 57 F 4.5033 8.7958 130.0675 57.8001 37.0915 174.0368 58 Q 4.2082 7.0982 122.8728 52.7494 30.7461 174.4620 59 P 4.2502 0.0000 0.0000 66.3663 30.9313 175.5081 60 Y 4.3588 5.9048 115.6290 56.6943 40.1048 176.7161 61 T 4.2375 8.5025 113.2395 66.8368 71.9194 173.7491 62 S 4.0045 7.6827 121.7016 58.9104 62.1238 170.6092 63 I 4.2156 7.6512 123.5934 62.6065 37.3864 176.6589 64 D 4.4316 7.7803 119.6280 55.9481 41.2098 176.7448 65 E 4.3327 7.7964 119.0624 57.8404 30.4725 176.6243 66 M 3.7111 7.5631 117.4079 55.4389 32.4041 175.7285 67 T 4.2548 7.9839 116.8770 60.3994 70.1779 172.8914 68 Y 4.8204 7.5198 125.6098 59.2993 38.2389 176.0228 69 R 4.5654 9.4246 121.6081 57.8932 32.2989 175.8892 70 H 5.2417 8.1566 113.7547 54.1578 33.6338 172.3481 71 I 4.9649 8.6604 121.9177 59.5851 40.3801 174.7076 72 F 5.4351 8.2252 119.9102 55.8507 42.1619 172.9564 73 T 5.1966 8.9488 112.5555 59.9913 70.8924 171.0898 74 P 5.0813 0.0000 0.0000 61.9329 33.6156 174.8054 75 V 4.3535 7.9771 116.2868 60.4013 33.3546 177.4823 76 L 4.7501 9.0853 123.9738 50.1630 41.9591 175.2601 77 T 3.9203 7.7617 119.0635 62.9814 73.9423 171.4554 *81 I 4.2485 8.2189 121.8915 59.6693 36.9672 176.1824 82 S 4.7779 9.3525 117.4539 60.1629 67.5866 176.2967 83 S 4.6970 8.2880 115.0928 59.6323 59.3733 168.3730 84 I 4.4996 7.4142 113.3353 59.2210 39.7396 173.6234 85 T 4.5204 7.9630 110.3606 59.8676 70.8036 172.7015 86 P 4.5290 0.0000 0.0000 63.2145 31.7790 175.6621 87 D 4.6839 8.2823 118.4804 54.1568 39.9864 175.9764 88 M 5.1567 7.4310 119.0104 53.5946 35.8962 174.4867 89 E 4.6515 8.9864 122.9476 54.2586 32.5024 175.0078 90 I 4.2090 8.4383 128.2970 61.9924 37.9934 175.4427 91 T 4.5170 8.6577 121.1583 63.0530 71.1107 171.1142 92 T 4.5282 8.1670 109.5297 61.8931 72.0195 172.8147 93 I 4.0916 8.5021 122.9341 58.8833 38.0938 173.7627 94 P 4.5217 0.0000 0.0000 62.3846 31.8708 176.4785 95 K 4.2698 8.7762 123.9878 55.9768 33.4837 177.1406 96 G 3.8367 7.6730 111.0887 45.6437 0.0000 170.2479 97 R 4.9660 7.7075 120.0936 55.3355 31.5733 175.4300 98 Y 5.6956 8.9721 123.3516 55.1882 41.6494 174.6469 99 A 4.3858 8.6192 126.1276 51.7626 20.0026 175.7445 100 C 5.1342 9.1733 123.0957 57.8018 35.9887 172.7493 101 I 3.9580 7.9919 119.6626 60.6917 41.4981 172.8257 102 A 5.2502 8.7462 131.4737 50.7629 21.8513 174.7248 103 Y 5.1828 8.6551 117.7647 55.6553 41.7941 173.9731 104 N 4.6271 9.0312 120.1476 53.2360 39.4648 174.6115 105 F 4.7684 8.7009 126.3967 58.5945 39.8084 174.2634 106 S 3.6674 8.1281 118.1931 55.6870 65.0499 172.7871 107 P 4.6843 0.0000 0.0000 64.9166 31.1614 178.2659 108 E 3.8590 8.0864 116.2946 58.8051 29.3422 178.6916 109 H 4.1218 7.8700 116.6776 59.1366 28.8744 175.9150 110 Y 4.9049 7.9119 119.8446 61.5247 38.5718 178.1514 111 F 3.6032 8.3420 119.8395 61.1146 39.7808 177.1263 112 L 4.1447 7.6467 118.8979 57.2642 41.6351 178.1208 113 N 4.4255 7.9399 116.1645 55.4688 38.8826 176.8307 114 L 3.8312 7.2974 122.0977 58.0199 42.0025 178.6935 115 Q 3.9627 7.6515 117.1762 59.6398 28.2218 178.9853 116 K 3.8643 7.4336 120.9647 59.5574 32.0486 178.0982 117 L 3.9413 7.8332 119.7700 58.2786 41.8235 178.6253 118 I 4.0425 8.3824 119.1869 64.9455 37.2879 178.0328 119 K 3.9546 8.5879 120.5695 59.5138 31.9928 177.8147 120 Y 4.1312 8.9593 119.8854 61.1546 38.6453 178.8687 121 I 3.6995 8.3630 120.2819 64.4795 37.0728 178.3944 122 A 4.0920 7.9875 120.1339 54.9402 18.1926 179.2836 123 D 4.3877 8.1396 117.3414 57.6423 39.7788 178.8128 124 R 3.9022 8.0757 117.5522 56.4251 29.7904 177.3313 125 Q 3.7041 7.6464 116.4031 56.7238 26.8025 173.7960 126 L 4.2832 7.1019 115.9174 54.9379 42.4255 176.3548 127 T 4.6033 8.2517 115.4465 60.2756 69.6026 173.3443 128 V 4.1592 8.2442 128.5818 60.3924 32.9847 176.4663 129 V 4.4233 8.3649 117.5353 60.4692 32.4068 174.8684 130 S 4.4502 7.2783 112.2923 58.0715 64.8011 175.2782 131 D 4.6243 8.1932 121.0817 53.5528 42.2910 176.1281 132 V 3.8676 8.4440 119.5569 62.4919 33.2474 174.3130 133 Y 5.0171 8.8509 125.1558 56.4203 40.2512 174.1281 134 E 5.0105 9.2189 126.4654 54.6024 31.8616 174.5042 135 L 4.7544 9.1001 127.5028 53.1353 44.7237 175.4558 136 I 4.6322 7.5155 124.7335 59.2915 39.9759 175.1070 137 I 4.4860 8.6971 126.3057 58.4143 41.0435 172.6026 138 P 5.0595 0.0000 0.0000 63.3420 29.2516 176.9733 139 I 4.0355 8.0666 125.5435 62.0526 37.9107 174.5435 140 H 3.8876 7.7833 116.5308 55.2976 29.4717 175.4372 *149 Y 4.8426 7.5322 116.3404 58.1130 39.9562 176.3307 150 R 4.7417 9.3822 125.9404 55.4223 32.3677 175.1833 151 V 5.4156 8.2823 122.9805 61.0926 35.6322 173.3619 152 E 5.2741 8.3018 121.7561 55.6917 32.8817 173.4167 153 M 6.1209 8.9999 120.8825 52.6971 35.4686 174.6116 154 K 4.8986 8.7936 121.7034 55.1122 36.5949 174.8500 155 I 4.9687 8.7130 121.7146 59.2859 41.9443 173.6974 156 R 4.3391 8.3638 127.6143 55.0201 31.5153 175.2477 157 I 4.8071 8.1022 119.0755 58.0182 41.3520 175.5379 158 L 4.2068 8.2501 120.5853 54.9894 41.7461 176.7501 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 2 L 8.17 4.32 0.00 1.68 1.76 0.91 0.66 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 3 G 8.63 4.75 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 0.00 0.00 0.00 4 E 8.45 4.85 0.00 1.99 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 2.35 2.29 0.00 5 V 8.20 3.97 1.51 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 0.02 0.00 0.00 0.66 0.00 0.00 6 F 8.17 5.12 0.00 3.05 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 7 V 8.44 5.08 2.19 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 0.93 0.00 0.00 1.06 0.00 0.00 8 L 8.64 4.73 0.00 1.69 1.77 1.16 0.98 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 9 D 8.70 4.87 0.00 2.61 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 10 E 9.10 4.44 0.00 1.91 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 0.00 2.23 2.27 0.00 11 E 8.38 4.58 0.00 1.79 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 2.27 2.34 0.00 12 E 8.37 4.91 0.00 1.96 1.82 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 2.23 2.30 0.00 13 I 7.70 4.29 1.66 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.37 0.80 0.00 0.00 14 R 8.62 4.51 0.00 1.86 1.75 0.00 3.20 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 15 I 8.99 4.53 1.95 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.68 0.00 0.00 16 I 9.24 5.14 1.89 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 1.32 0.65 0.93 0.00 0.00 17 Q 8.80 5.35 0.00 2.38 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 18 T 8.38 5.08 4.28 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 1.28 0.00 0.00 19 E 8.79 4.66 0.00 2.05 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 2.40 2.31 0.00 20 A 8.49 4.35 1.45 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 0.00 0.00 0.00 21 E 9.31 3.77 0.00 2.15 2.09 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 2.23 2.32 0.00 22 G 8.24 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 0.00 0.00 0.00 23 I 8.03 3.73 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.16 1.05 0.00 0.00 24 G 8.16 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 0.00 0.00 0.00 25 P 0.00 3.77 0.00 2.02 1.89 0.00 3.30 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.42 0.00 26 E 7.94 3.78 0.00 1.95 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 2.32 2.37 0.00 27 N 7.34 4.18 0.00 2.89 2.85 0.00 0.00 7.12 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 28 V 7.45 3.79 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 0.77 0.00 0.00 1.03 0.00 0.00 29 L 8.07 4.48 0.00 1.68 1.71 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.59 4.91 0.00 2.64 2.72 0.00 0.00 6.97 7.35 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 31 A 8.67 3.73 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 32 S 8.37 4.96 0.00 3.59 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 *33 Y 7.64 4.72 0.00 2.26 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 *50 S 9.14 4.42 0.00 3.93 3.92 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 0.00 0.00 0.00 51 Y 6.78 4.60 0.00 2.99 2.97 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 52 G 7.43 3.51 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 0.00 0.00 0.00 0.00 53 A 6.98 4.72 0.63 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 54 T 8.73 5.79 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 1.57 0.00 0.00 55 F 7.92 5.30 0.00 3.26 3.36 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 56 S 8.96 4.33 0.00 4.03 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 57 F 8.80 4.50 0.00 2.88 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 58 Q 7.10 4.21 0.00 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.55 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 59 P 0.00 4.25 0.00 2.06 1.97 0.00 3.43 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 60 Y 5.90 4.36 0.00 3.03 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 61 T 8.50 4.24 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 1.21 0.00 0.00 62 S 7.68 4.00 0.00 3.93 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 63 I 7.65 4.22 1.85 0.00 0.00 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 1.29 0.37 1.05 0.00 0.00 64 D 7.78 4.43 0.00 2.59 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 65 E 7.80 4.33 0.00 2.06 2.22 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 2.41 2.34 0.00 66 M 7.56 3.71 0.00 1.22 1.61 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.81 0.00 67 T 7.98 4.25 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 1.25 0.00 0.00 68 Y 7.52 4.82 0.00 3.11 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 69 R 9.42 4.57 0.00 1.81 2.21 0.00 3.41 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.35 0.00 70 H 8.16 5.24 0.00 3.23 3.23 0.00 5.63 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 71 I 8.66 4.96 1.90 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 1.34 1.61 0.83 0.00 0.00 72 F 8.23 5.44 0.00 3.25 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 73 T 8.95 5.20 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 1.34 0.00 0.00 74 P 0.00 5.08 0.00 2.11 2.06 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 75 V 7.98 4.35 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 0.64 0.00 0.00 0.92 0.00 0.00 76 L 9.09 4.75 0.00 1.60 1.41 0.92 0.81 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 77 T 7.76 3.92 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 1.22 0.00 0.00 *81 I 8.22 4.25 1.87 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 1.27 0.82 0.91 0.00 0.00 82 S 9.35 4.78 0.00 3.71 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 83 S 8.29 4.70 0.00 3.70 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 84 I 7.41 4.50 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 1.47 1.39 0.92 0.00 0.00 85 T 7.96 4.52 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 1.26 0.00 0.00 86 P 0.00 4.53 0.00 2.20 2.20 0.00 3.76 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 1.93 1.94 0.00 87 D 8.28 4.68 0.00 2.78 2.83 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 88 M 7.43 5.16 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 89 E 8.99 4.65 0.00 1.98 1.75 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 2.17 2.24 0.00 90 I 8.44 4.21 1.86 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 1.23 0.65 0.90 0.00 0.00 91 T 8.66 4.52 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 92 T 8.17 4.53 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 1.17 0.00 0.00 93 I 8.50 4.09 1.50 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.03 0.44 0.00 0.00 94 P 0.00 4.52 0.00 2.00 2.06 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 95 K 8.78 4.27 0.00 1.78 1.72 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.69 7.81 96 G 7.67 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 0.00 0.00 0.00 97 R 7.71 4.97 0.00 1.87 1.90 0.00 3.24 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 98 Y 8.97 5.70 0.00 3.00 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 99 A 8.62 4.39 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 0.00 100 C 9.17 5.13 0.00 2.90 2.58 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 0.00 101 I 7.99 3.96 1.56 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.28 0.88 0.00 0.00 102 A 8.75 5.25 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 0.00 103 Y 8.66 5.18 0.00 3.16 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 0.00 104 N 9.03 4.63 0.00 2.73 2.86 0.00 0.00 6.94 7.45 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 0.00 105 F 8.70 4.77 0.00 3.05 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 0.00 106 S 8.13 3.67 0.00 3.60 3.46 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 0.00 107 P 0.00 4.68 0.00 2.23 2.18 0.00 3.37 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.29 0.00 108 E 8.09 3.86 0.00 2.10 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 2.41 2.48 0.00 109 H 7.87 4.12 0.00 3.20 2.94 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 7.91 4.90 0.00 3.49 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 0.00 111 F 8.34 3.60 0.00 3.15 2.99 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 0.00 112 L 7.65 4.14 0.00 1.65 1.72 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.94 4.43 0.00 2.47 2.63 0.00 0.00 6.46 6.99 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 0.00 114 L 7.30 3.83 0.00 1.23 1.24 0.21 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.65 3.96 0.00 2.39 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 116 K 7.43 3.86 0.00 1.96 1.91 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.43 7.81 117 L 7.83 3.94 0.00 1.72 1.73 0.80 1.38 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 0.00 118 I 8.38 4.04 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 0.73 0.00 0.00 119 K 8.59 3.95 0.00 2.12 1.97 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.49 7.81 120 Y 8.96 4.13 0.00 3.04 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 0.00 121 I 8.36 3.70 2.23 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.46 0.87 0.00 0.00 122 A 7.99 4.09 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 D 8.14 4.39 0.00 2.75 2.64 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 0.00 124 R 8.08 3.90 0.00 1.45 1.71 0.00 3.08 0.00 0.00 2.53 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 125 Q 7.65 3.70 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 126 L 7.10 4.28 0.00 1.49 1.54 0.87 0.69 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 0.00 127 T 8.25 4.60 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 1.17 0.00 0.00 128 V 8.24 4.16 1.64 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 0.35 0.00 0.00 0.75 0.00 0.00 129 V 8.36 4.42 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 0.68 0.00 0.00 0.83 0.00 0.00 130 S 7.28 4.45 0.00 3.96 3.81 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 0.00 131 D 8.19 4.62 0.00 2.23 2.46 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 0.00 132 V 8.44 3.87 0.93 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 0.84 0.00 0.00 0.83 0.00 0.00 133 Y 8.85 5.02 0.00 3.15 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 0.00 134 E 9.22 5.01 0.00 2.26 1.84 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 2.29 2.54 0.00 135 L 9.10 4.75 0.00 1.64 1.45 0.92 0.80 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 0.00 136 I 7.52 4.63 0.56 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 0.70 1.00 0.49 0.00 0.00 137 I 8.70 4.49 1.80 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 1.28 1.73 0.86 0.00 0.00 138 P 0.00 5.06 0.00 2.38 2.72 0.00 3.53 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 139 I 8.07 4.04 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 1.42 0.69 0.93 0.00 0.00 140 H 7.78 3.89 0.00 3.14 3.27 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *149 Y 7.53 4.84 0.00 3.13 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 0.00 150 R 9.38 4.74 0.00 1.89 1.75 0.00 3.22 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 151 V 8.28 5.42 1.69 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 0.15 0.00 0.00 0.69 0.00 0.00 152 E 8.30 5.27 0.00 2.03 1.98 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 2.22 2.14 0.00 153 M 9.00 6.12 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.50 0.00 154 K 8.79 4.90 0.00 1.95 1.87 0.00 1.02 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.41 7.81 155 I 8.71 4.97 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.30 0.77 0.00 0.00 156 R 8.36 4.34 0.00 1.62 1.53 0.00 2.89 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 157 I 8.10 4.81 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.35 0.81 0.00 0.00 158 L 8.25 4.21 0.00 1.60 1.56 0.88 0.74 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 * Residues marked with a * may have inaccurate shift predictions.