NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2844 8.5445 116.7516 55.6040 31.4926 175.3472 4 K 4.5128 8.3088 126.4445 52.1493 34.3039 172.6660 5 Y 4.2169 9.5130 126.0155 56.7043 39.3509 173.8822 6 I 4.0505 7.8232 127.6823 60.8433 38.1805 175.7253 7 V 4.3432 8.1754 126.9138 61.2920 33.4826 175.0259 8 T 4.2967 8.2640 118.0053 60.1755 71.1290 175.6789 9 W 4.4113 8.8831 122.7608 60.4027 29.1805 178.2993 10 D 4.4747 8.3462 117.8608 57.9265 40.3532 178.8407 11 M 4.0119 7.6686 117.5675 58.1599 31.9080 178.5163 12 L 3.9618 8.1023 120.6100 58.2978 42.1985 178.8190 13 Q 4.0948 8.3125 119.4001 59.2356 28.9681 178.3802 14 I 3.7011 7.5736 120.5143 64.5978 37.0691 178.1005 15 H 4.1862 8.1445 116.7323 58.8218 28.4773 177.5664 16 A 3.9843 8.3826 122.8854 55.4673 18.2216 179.9267 17 R 3.8612 8.2449 116.6082 59.1818 29.8751 179.2182 18 K 3.9212 7.9497 118.5988 59.3913 32.3589 178.3113 19 L 4.0224 8.1995 120.5957 57.9836 41.9897 178.6337 20 A 3.9854 8.1829 121.0135 55.4160 18.1766 179.6220 21 S 4.1024 8.2019 113.5034 62.0835 62.7076 177.3447 22 R 4.0454 7.6596 119.3092 58.6184 29.7863 177.9921 23 L 4.7108 7.4874 117.0448 54.3983 41.9054 176.6637 24 M 4.5112 7.0427 119.2737 53.7113 33.0696 174.4518 25 P 4.5850 0.0000 0.0000 62.2826 32.4172 177.0697 26 S 4.5697 8.5170 113.8655 60.8909 63.4799 176.1660 27 E 3.9456 8.2691 120.0995 58.9197 29.2637 177.9670 28 Q 3.9132 7.6053 115.2255 57.2633 29.3339 176.1203 29 W 4.7964 7.7629 121.5494 56.5935 29.7758 177.1429 30 K 4.0620 8.8172 124.5304 54.5338 31.8492 174.2906 31 G 4.1774 6.4163 104.3569 47.1294 0.0000 171.3336 32 I 5.0105 7.3491 118.6652 59.4055 40.6746 175.3912 33 I 4.8107 9.1085 127.8488 59.4256 39.0704 174.0254 34 A 4.7194 9.0550 130.4852 51.0299 20.0466 176.2867 35 V 4.2414 8.5981 123.9015 62.2301 32.6057 175.8775 36 S 4.3986 8.4289 124.5254 58.9630 63.2291 174.3638 37 R 4.3678 8.6360 121.2143 56.5396 31.8009 178.2762 38 G 3.5463 8.0368 104.6349 47.5516 0.0000 175.7458 39 G 3.6661 7.9933 107.1947 46.6868 0.0000 175.5056 40 L 3.8840 7.3069 121.8370 58.1563 42.0523 179.1018 41 V 3.6055 6.9637 117.9620 65.7967 31.4919 176.3642 42 P 4.5235 0.0000 0.0000 65.3302 31.0773 178.8933 43 G 3.5505 8.4098 104.8746 47.6344 0.0000 175.6882 44 A 4.0161 8.1630 123.2440 54.8945 18.3312 179.7859 45 L 3.9824 8.0129 117.5671 57.7927 41.7167 179.7117 46 L 3.9244 8.2695 118.9929 57.7866 41.5811 179.1627 47 A 3.9877 8.2126 120.9940 55.2963 17.9587 179.6933 48 R 3.8141 7.9554 116.8068 59.8059 30.0409 178.6772 49 E 3.9993 8.1643 117.0079 59.1340 29.5554 178.7222 50 L 4.3822 8.4906 117.3052 54.9352 42.0248 177.9662 51 G 3.8678 7.5441 106.6404 45.4328 0.0000 173.3930 52 I 3.9672 7.8366 123.5496 61.2017 36.9448 177.2890 53 R 4.1762 8.5843 124.4823 58.2332 30.3009 172.4411 54 H 5.0563 7.9627 115.6669 55.1016 33.4923 171.8186 55 V 4.6146 8.3302 125.0178 61.3160 33.3186 174.3760 56 D 5.0026 9.1398 128.2481 53.1479 43.0713 175.5236 57 T 5.7906 8.6225 110.9356 59.0920 71.7420 173.5459 58 V 4.4695 8.1346 121.3867 60.2262 35.2017 174.4101 59 A 4.3153 8.6243 128.3196 52.2360 17.6149 176.1996 60 I 3.7912 8.2242 124.6258 60.5319 43.1433 175.3633 *79 G 3.7961 8.7259 113.8481 46.8221 0.0000 172.4250 80 D 4.5940 8.8809 124.6737 54.4851 41.1736 177.0449 81 G 3.5896 8.9915 112.2880 46.4490 0.0000 174.2506 82 E 4.3525 7.7376 115.9259 57.1861 29.9007 180.8507 83 G 4.1069 9.4431 112.9480 44.0347 0.0000 172.5224 84 F 5.1448 8.6043 118.8575 56.3929 41.4740 174.9991 85 I 4.4868 8.4982 122.9086 59.7379 39.1203 174.8806 86 V 4.4999 8.4208 128.5653 61.4832 32.8981 174.3749 87 I 5.7497 8.4819 128.2541 58.5077 41.2570 173.6018 88 D 5.2778 8.5513 126.4612 52.5770 45.1209 175.7024 89 D 4.6167 8.9982 121.9828 56.1119 40.4675 175.6980 90 L 5.4550 7.8273 118.0133 51.9571 46.0699 175.3219 91 V 4.7035 7.9558 121.3690 61.5735 34.6122 174.8313 92 D 4.3917 8.7591 124.2640 54.4186 43.6128 175.6730 *96 T 4.0983 7.5108 116.7594 63.0815 69.6562 174.6285 97 A 4.1207 8.7141 128.4128 55.6243 18.4398 181.0368 98 V 3.5676 7.9201 117.6916 66.1073 31.5228 183.4734 99 A 4.2399 8.2875 123.0053 55.7121 18.1495 180.4856 100 I 3.6498 7.5642 120.6442 65.9441 35.3993 181.1836 101 R 4.1787 8.2562 125.5391 61.7946 28.9267 181.2729 102 E 4.3394 7.8795 119.8273 61.9361 29.8148 182.2094 103 M 4.3557 7.9122 120.3910 58.1404 32.3107 178.3223 104 Y 5.0253 7.9615 117.2038 55.2406 39.0397 174.0192 105 P 4.4412 0.0000 0.0000 65.0822 31.9050 178.3805 106 K 4.5074 8.0552 117.3098 54.2981 31.7587 177.6057 107 A 4.8347 7.4797 119.8432 52.4023 20.6756 178.1355 108 H 4.6941 9.1315 120.8989 54.9371 30.2731 173.3606 109 F 5.2220 9.3903 128.8603 58.0242 40.3484 174.4760 110 V 5.4142 9.3503 119.0655 58.9573 36.4219 174.3904 111 T 5.3385 7.7720 110.5731 60.8715 72.2924 174.6242 112 I 3.7062 8.5907 121.7465 63.7684 37.5415 176.3199 113 F 5.3374 8.1752 119.3927 56.1599 42.2887 174.3030 114 A 4.6056 8.3201 119.1739 51.1930 22.9751 176.6784 115 K 4.9250 8.4189 122.0102 53.8034 34.0094 175.8405 116 P 4.0694 0.0000 0.0000 65.8495 31.5099 178.8622 117 A 3.7205 8.2487 121.5697 54.9580 18.7078 178.8341 118 G 3.7891 7.5508 103.4736 46.9058 0.0000 175.8246 119 R 3.5341 7.9317 120.6664 59.1938 29.7894 176.4402 120 P 4.4365 0.0000 0.0000 64.2458 31.4030 177.3117 121 L 4.4913 7.6950 116.8475 54.4238 42.6839 176.9268 122 V 4.1216 6.6348 111.7457 60.0540 32.8598 176.0468 123 D 4.5187 8.5399 122.5369 56.8252 41.3377 176.6362 124 D 4.3874 7.4166 114.8752 53.8437 43.6735 173.9171 125 Y 5.6299 7.7321 121.1412 56.0786 41.1053 173.3315 126 V 4.0295 8.4948 116.0174 64.1059 33.5764 175.5550 127 V 4.4704 7.9988 120.5607 61.0195 34.0092 173.6355 128 D 5.1539 8.7834 127.3916 53.7315 42.0108 175.6984 129 I 4.3752 8.3591 124.1887 58.4580 40.4024 173.8176 130 P 4.4419 0.0000 0.0000 62.2724 31.9199 177.0748 131 Q 3.7961 8.8745 125.3095 59.7643 28.8365 177.9401 132 D 4.7018 7.8246 113.2295 53.2876 40.5317 179.4656 133 T 4.0566 7.8944 118.9103 64.6886 69.1221 174.5889 *134 W 4.4959 8.4355 128.6563 55.6391 29.9297 172.7435 135 I 4.4009 8.1928 126.8447 59.4026 38.0936 175.1767 136 E 4.3054 8.8490 128.8913 54.3898 30.9027 175.2288 137 Q 3.7882 7.9848 126.5709 54.3894 29.8340 175.5246 138 P 3.6092 0.0000 0.0000 65.2002 31.1411 178.7738 139 W 4.5234 6.7474 112.8654 58.7464 28.1408 176.1953 140 D 4.7558 7.6677 117.3431 54.4176 40.7156 175.3590 141 M 4.7380 7.2874 118.7968 53.6644 34.9804 174.7242 142 G 4.0776 7.8932 105.7463 44.9589 0.0000 173.4587 143 V 3.9166 8.3783 121.2242 61.9811 31.3854 175.6285 144 V 4.6270 7.9003 119.2852 59.0542 35.8253 174.9267 145 F 4.1330 8.7738 123.1812 58.3633 39.6158 174.3875 146 V 4.1728 7.0666 126.2866 59.9953 33.3592 173.4045 147 P 4.3267 0.0000 0.0000 61.7883 32.0345 174.6915 148 P 4.3579 0.0000 0.0000 62.2909 31.9308 177.7370 149 I 3.6540 8.3527 115.7258 63.9859 37.7456 177.1091 150 S 4.2624 8.0672 113.5080 58.1630 63.3532 175.9133 151 G 4.0498 8.4344 112.3339 46.3268 0.0000 174.7237 152 R 4.2526 7.6570 121.9631 56.2727 30.3019 180.4330 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 E 8.54 4.28 0.00 2.01 1.81 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 2.13 1.88 0.00 4 K 8.31 4.51 0.00 1.60 1.60 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.07 7.81 5 Y 9.51 4.22 0.00 2.97 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 6 I 7.82 4.05 1.68 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 1.24 0.81 0.77 0.00 0.00 7 V 8.18 4.34 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 0.94 0.00 0.00 0.88 0.00 0.00 8 T 8.26 4.30 4.26 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 0.00 0.00 0.00 1.15 0.00 0.00 9 W 8.88 4.41 0.00 3.43 3.30 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 10 D 8.35 4.47 0.00 2.73 2.76 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 0.00 0.00 0.00 11 M 7.67 4.01 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 12 L 8.10 3.96 0.00 1.76 1.94 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.31 4.09 0.00 2.44 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 14 I 7.57 3.70 1.98 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 1.53 0.93 0.93 0.00 0.00 15 H 8.14 4.19 0.00 3.24 3.14 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.38 3.98 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 17 R 8.24 3.86 0.00 2.01 2.00 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 18 K 7.95 3.92 0.00 1.89 2.00 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 19 L 8.20 4.02 0.00 1.73 1.81 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.18 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 21 S 8.20 4.10 0.00 4.07 3.94 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 22 R 7.66 4.05 0.00 1.91 2.01 0.00 3.15 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 23 L 7.49 4.71 0.00 1.83 1.82 0.71 0.91 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 24 M 7.04 4.51 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.82 0.00 25 P 0.00 4.58 0.00 1.98 1.97 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 26 S 8.52 4.57 0.00 4.15 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 0.00 27 E 8.27 3.95 0.00 1.90 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 2.30 2.24 0.00 28 Q 7.61 3.91 0.00 1.60 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.88 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 29 W 7.76 4.80 0.00 3.27 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 30 K 8.82 4.06 0.00 1.72 1.71 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.25 7.81 31 G 6.42 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 0.00 0.00 0.00 0.00 32 I 7.35 5.01 1.85 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 1.09 0.60 0.92 0.00 0.00 33 I 9.11 4.81 1.57 0.00 0.00 -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 0.92 0.65 0.63 0.00 0.00 34 A 9.05 4.72 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 35 V 8.60 4.24 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 0.94 0.00 0.00 0.97 0.00 0.00 36 S 8.43 4.40 0.00 3.74 3.75 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 37 R 8.64 4.37 0.00 1.75 1.78 0.00 3.10 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 38 G 8.04 3.55 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 0.00 0.00 0.00 39 G 7.99 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 0.00 0.00 0.00 40 L 7.31 3.88 0.00 1.74 1.66 0.88 0.72 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 41 V 6.96 3.61 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 1.46 0.00 0.00 0.80 0.00 0.00 42 P 0.00 4.52 0.00 2.27 2.17 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 43 G 8.41 3.55 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 0.00 0.00 0.00 44 A 8.16 4.02 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 45 L 8.01 3.98 0.00 1.94 1.78 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.27 3.92 0.00 1.81 1.65 0.83 1.05 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 47 A 8.21 3.99 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 48 R 7.96 3.81 0.00 2.01 2.13 0.00 3.28 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 49 E 8.16 4.00 0.00 2.10 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 2.58 2.51 0.00 50 L 8.49 4.38 0.00 1.63 1.79 0.82 1.05 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 51 G 7.54 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 0.00 0.00 0.00 52 I 7.84 3.97 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 1.20 0.62 0.97 0.00 0.00 53 R 8.58 4.18 0.00 1.83 1.84 0.00 3.21 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 54 H 7.96 5.06 0.00 3.19 3.15 0.00 5.79 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 55 V 8.33 4.61 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 0.83 0.00 0.00 0.91 0.00 0.00 56 D 9.14 5.00 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.62 5.79 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 1.18 0.00 0.00 58 V 8.13 4.47 2.16 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 0.85 0.00 0.00 1.01 0.00 0.00 59 A 8.62 4.32 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 60 I 8.22 3.79 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 1.35 0.49 0.91 0.00 0.00 *79 G 8.73 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 80 D 8.88 4.59 0.00 2.61 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 81 G 8.99 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.74 4.35 0.00 2.00 1.81 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 2.24 1.87 0.00 83 G 9.44 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 0.00 0.00 0.00 84 F 8.60 5.14 0.00 3.19 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 85 I 8.50 4.49 1.60 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.69 0.00 0.00 86 V 8.42 4.50 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 0.90 0.00 0.00 0.69 0.00 0.00 87 I 8.48 5.75 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 1.13 1.18 0.95 0.00 0.00 88 D 8.55 5.28 0.00 3.04 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 89 D 9.00 4.62 0.00 3.15 3.42 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 90 L 7.83 5.46 0.00 1.70 1.59 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.96 4.70 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 1.02 0.00 0.00 0.93 0.00 0.00 92 D 8.76 4.39 0.00 2.72 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 *96 T 7.51 4.10 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 1.25 0.00 0.00 97 A 8.71 4.12 1.61 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 0.00 0.00 98 V 7.92 3.57 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 0.83 0.00 0.00 0.93 0.00 0.00 99 A 8.29 4.24 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 0.00 100 I 7.56 3.65 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 1.50 0.70 0.91 0.00 0.00 101 R 8.26 4.18 0.00 1.80 1.97 0.00 3.23 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 102 E 7.88 4.34 0.00 2.10 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 2.26 2.19 0.00 103 M 7.91 4.36 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 104 Y 7.96 5.03 0.00 2.89 2.81 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 0.00 105 P 0.00 4.44 0.00 2.07 2.13 0.00 3.94 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 106 K 8.06 4.51 0.00 1.68 1.76 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 1.24 7.81 107 A 7.48 4.83 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 0.00 108 H 9.13 4.69 0.00 3.58 3.11 0.00 5.78 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.39 5.22 0.00 3.11 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 0.00 110 V 9.35 5.41 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 0.59 0.00 0.00 0.84 0.00 0.00 111 T 7.77 5.34 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 1.04 0.00 0.00 112 I 8.59 3.71 1.93 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 1.37 0.95 0.20 0.00 0.00 113 F 8.18 5.34 0.00 2.90 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 0.00 114 A 8.32 4.61 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 0.00 115 K 8.42 4.93 0.00 1.66 1.81 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.18 7.81 116 P 0.00 4.07 0.00 2.13 2.02 0.00 3.86 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 117 A 8.25 3.72 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 0.00 118 G 7.55 3.79 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 0.00 0.00 0.00 119 R 7.93 3.53 0.00 1.87 1.98 0.00 3.18 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 120 P 0.00 4.44 0.00 2.07 2.10 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 121 L 7.70 4.49 0.00 1.82 1.84 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 122 V 6.63 4.12 1.71 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 0.09 0.00 0.00 0.97 0.00 0.00 123 D 8.54 4.52 0.00 2.66 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 0.00 124 D 7.42 4.39 0.00 2.68 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 0.00 125 Y 7.73 5.63 0.00 2.96 2.76 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 0.00 0.00 0.00 126 V 8.49 4.03 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 0.66 0.00 0.00 0.82 0.00 0.00 127 V 8.00 4.47 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 0.96 0.00 0.00 0.58 0.00 0.00 128 D 8.78 5.15 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.36 4.38 1.72 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.12 0.68 0.00 0.00 130 P 0.00 4.44 0.00 2.14 1.94 0.00 3.52 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 2.10 2.04 0.00 131 Q 8.87 3.80 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 132 D 7.82 4.70 0.00 2.73 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 0.00 133 T 7.89 4.06 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 1.22 0.00 0.00 *134 W 8.44 4.50 0.00 2.18 2.18 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 0.00 135 I 8.19 4.40 1.61 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.75 0.40 0.00 0.00 136 E 8.85 4.31 0.00 1.94 1.66 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 2.09 2.13 0.00 137 Q 7.98 3.79 0.00 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.35 6.58 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 138 P 0.00 3.61 0.00 0.49 0.49 0.00 2.20 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 1.36 1.63 0.00 139 W 6.75 4.52 0.00 3.41 3.48 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 0.00 140 D 7.67 4.76 0.00 2.69 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 0.00 141 M 7.29 4.74 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 142 G 7.89 4.08 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 0.00 0.00 0.00 143 V 8.38 3.92 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 0.86 0.00 0.00 0.99 0.00 0.00 144 V 7.90 4.63 2.16 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 0.81 0.00 0.00 0.97 0.00 0.00 145 F 8.77 4.13 0.00 2.98 2.96 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 0.00 146 V 7.07 4.17 1.86 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 0.79 0.00 0.00 0.85 0.00 0.00 147 P 0.00 4.33 0.00 2.11 2.09 0.00 3.72 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 2.14 2.45 0.00 148 P 0.00 4.36 0.00 2.18 1.95 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 149 I 8.35 3.65 1.85 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 1.45 0.51 0.88 0.00 0.00 150 S 8.07 4.26 0.00 4.03 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 0.00 151 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 0.00 152 R 7.66 4.25 0.00 1.83 1.64 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.