NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9424 8.3549 109.7385 45.3741 0.0000 173.1336 2 H 3.4814 8.5283 116.7466 55.0192 29.5408 173.6084 *4 S 4.3471 7.8499 113.8958 57.7174 65.1820 174.3544 5 R 3.9916 8.3421 117.3305 59.3331 28.9109 178.3467 6 N 4.3113 8.1397 117.4565 56.5463 38.9382 176.4416 7 L 4.0787 7.9175 121.5336 57.7722 42.1692 178.8133 8 L 4.0292 7.8438 118.6936 57.6612 41.3314 179.2906 9 A 3.9836 7.6707 119.0540 55.3371 18.4460 179.4577 10 I 3.8535 7.4152 117.4860 64.0128 37.4950 178.2303 11 V 4.0683 8.1677 118.3268 62.2923 31.7492 177.1980 12 H 3.9693 8.0185 120.3214 59.4514 29.6124 174.8767 13 P 4.2607 0.0000 0.0000 65.5520 30.9457 178.7072 14 I 3.6926 7.9472 118.7649 64.3448 36.8535 178.2493 15 L 3.9284 7.7812 117.8071 58.0780 41.5664 179.4929 16 R 4.0193 7.8462 116.6970 58.9539 30.1607 178.4509 17 N 4.6486 8.2088 117.0985 56.4196 38.9209 178.0890 18 L 4.1560 7.9420 120.3754 55.4058 41.2204 178.4619 *20 E 4.2329 8.1522 117.8727 55.9198 31.3199 178.0466 21 E 4.1389 8.8425 118.5422 58.4364 29.8385 177.5561 22 S 4.6258 8.4090 112.6547 58.1500 63.9321 175.4281 23 G 4.0084 7.8588 104.8014 45.3825 0.0000 172.4657 24 E 4.8418 7.8124 117.6225 54.0051 34.3600 175.3192 25 T 4.1503 8.4486 117.9855 64.1242 69.8108 173.2632 26 V 4.8181 8.8180 126.0197 61.5732 34.0425 174.1884 27 N 5.0335 8.6232 124.8946 52.0562 42.7410 173.0368 *29 A 4.6348 8.4808 120.6082 53.0311 20.6062 176.6264 30 V 4.7879 8.4884 111.9248 59.5286 35.9085 175.3979 31 L 3.9517 8.1081 126.0802 53.3421 41.1007 173.5284 32 D 4.3246 8.6258 123.2853 54.2077 41.6612 176.7965 33 Q 3.9654 8.7547 125.8689 58.1776 28.6243 177.7978 34 S 4.0757 7.4341 114.5640 60.7445 62.9340 174.0325 35 D 4.4410 7.6455 125.6826 54.9376 41.9936 176.1942 36 H 4.1249 7.8148 116.0470 56.6939 26.8467 173.7090 37 E 4.8332 7.2785 118.3030 54.2167 34.1650 174.9546 38 A 4.6565 8.4440 126.5081 51.9889 20.2045 176.6321 39 I 5.0103 8.6942 121.3360 59.3589 41.3752 175.0530 40 I 4.3036 8.8506 128.9633 61.3829 37.4433 176.8276 41 I 4.3629 8.5523 118.3974 60.7630 39.5026 174.4992 42 D 4.7353 7.5608 118.1142 53.2768 44.1897 173.3114 43 Q 4.7833 7.9384 120.1680 55.2632 32.0886 173.4229 44 V 4.3534 8.7118 125.5566 61.0864 34.1892 174.6651 45 Q 4.5766 8.7191 127.4656 55.7420 29.6551 176.3369 46 C 4.4069 8.1390 118.1732 58.0362 31.0973 173.2025 47 T 4.3184 8.0183 111.9723 62.1406 67.2773 174.3104 48 H 4.4192 7.8731 117.5071 56.5067 29.1936 176.5262 49 L 4.1957 8.4391 121.1201 55.3383 42.2246 178.0214 *51 R 4.1039 7.7384 118.6036 55.9604 30.0930 178.5227 *53 S 4.1204 8.9603 115.3603 58.0460 61.9914 171.5548 54 A 4.7355 8.4565 130.3836 49.4744 21.5037 174.3509 55 P 4.6509 0.0000 0.0000 61.5509 32.7861 175.6553 56 I 4.0119 8.0303 120.9213 62.7372 37.2905 176.6479 57 G 4.0302 8.9613 114.2002 44.6514 0.0000 173.9109 58 G 3.8285 8.0040 107.3958 46.2505 0.0000 172.8617 59 K 5.1924 8.5513 121.2160 54.3862 34.3469 175.6699 60 L 4.8154 8.6121 124.1840 52.0418 44.8602 176.5961 61 P 4.6224 0.0000 0.0000 62.6624 31.2603 176.8191 *63 H 4.7506 8.6718 112.3977 55.3237 30.1201 173.3113 64 A 4.4798 7.6282 120.3695 51.3540 20.6192 175.9362 65 S 4.6405 7.4193 110.9679 56.3780 65.4357 175.8701 66 G 3.5235 8.6091 107.4782 48.0754 0.0000 175.8251 67 A 3.9650 8.0291 123.7014 54.4902 18.4053 179.6956 68 G 3.7237 8.2165 104.1804 48.1670 0.0000 176.1433 69 K 4.1320 8.3982 120.9159 58.5843 31.7766 179.4643 70 A 3.9305 7.6148 120.8189 54.9890 18.4683 179.3469 71 F 4.3206 7.9690 116.2140 60.8421 39.2032 177.4992 72 L 3.9734 8.1647 119.6280 58.3752 41.5754 178.8257 73 A 4.1557 8.0978 119.2958 54.4709 18.3736 178.7949 74 Q 4.2863 8.1891 115.4806 56.4260 29.3238 176.2710 75 L 4.5263 6.9334 119.8558 53.6613 43.0110 177.2630 76 S 4.4674 10.3944 116.3667 58.0863 64.6779 175.3442 77 E 4.0185 8.6481 121.7553 59.2852 29.2324 179.3319 78 E 3.9830 8.0742 119.2401 59.3154 29.5389 178.5899 79 Q 4.0701 8.2722 117.9157 58.5586 28.7778 178.9254 80 V 3.6100 7.7705 119.7928 66.0633 31.1326 178.1502 81 T 3.7778 7.5468 114.5981 66.7149 68.1452 176.8504 82 K 3.7525 7.7218 118.1917 58.7540 31.8166 178.2951 83 L 4.3370 7.5821 119.1818 56.1015 42.5502 177.6005 84 L 4.2716 7.5980 117.4715 56.4980 41.4735 178.2442 85 H 4.5791 7.5668 116.3490 57.6530 29.1021 176.6480 86 R 4.4818 7.8245 114.4528 56.2297 30.0753 176.5655 87 K 4.3991 7.4596 115.8962 54.8855 33.8324 176.7984 88 G 3.7449 7.5552 106.8434 46.3770 0.0000 173.2801 89 L 4.4259 7.7551 113.6046 53.0578 41.9357 176.9113 90 H 4.0128 7.9977 117.7758 56.4630 30.7396 175.2319 91 A 4.3708 7.8211 129.7337 50.7669 17.1933 176.3450 92 Y 4.1283 8.2407 119.5579 61.0229 38.5441 176.2588 93 T 4.5973 8.4071 108.9363 60.4154 71.8647 173.8855 94 H 4.3273 8.4463 115.8479 57.3899 28.5897 175.7619 95 A 4.5167 7.6186 121.8263 52.4826 19.9132 177.4548 96 T 3.8760 7.3239 113.0544 63.5547 68.8746 173.9944 97 L 4.1800 8.5585 126.5295 55.0495 41.7765 177.1837 98 V 4.2178 8.4529 115.9270 60.8824 33.3367 175.8806 99 S 4.6233 7.7952 115.3713 55.9882 63.8194 172.1069 100 P 4.3120 0.0000 0.0000 65.8829 31.0326 178.5758 101 V 3.5809 7.6362 116.3541 66.3484 31.4869 177.5297 102 H 4.2313 8.0159 115.7432 58.7573 28.5181 177.2605 103 L 3.9522 8.3246 122.4266 58.5426 41.9219 179.3346 104 K 3.9650 8.6871 118.4876 59.3636 31.9084 179.0485 105 E 3.9439 8.2337 119.8131 59.2132 29.5811 178.3524 106 D 4.3313 8.4345 118.4499 57.3446 41.4758 178.2117 107 L 4.0737 8.4277 119.3856 57.2020 41.4720 179.2622 108 A 4.1444 7.8594 121.2988 55.0925 18.3623 179.6658 109 Q 3.9837 8.1310 116.5918 59.1763 28.6054 178.8968 110 T 3.8396 7.9919 117.0106 66.5944 68.1805 176.9023 111 R 3.9617 7.4024 118.0593 58.8830 30.1572 178.9062 112 K 4.0998 7.5204 117.3570 59.5194 32.2809 179.3382 113 R 4.1113 7.8476 114.0762 57.3396 29.7088 177.5028 114 G 4.0891 9.2316 108.1687 45.1337 0.0000 172.3833 115 Y 5.1058 6.6082 115.7101 55.6652 41.2973 174.5650 116 S 4.6561 9.1986 115.9681 57.6945 65.8002 173.3172 117 F 5.2815 8.4788 122.7442 57.3814 41.7318 173.3826 118 D 4.4772 9.2863 128.5200 53.2979 41.8291 174.5521 119 D 4.3560 8.3889 128.1511 52.6950 39.8322 175.3227 120 E 4.0743 8.3892 121.5084 56.9919 27.8109 175.7277 121 E 4.2292 8.7234 119.6429 57.6311 30.0800 176.9093 122 H 4.4329 7.9086 116.6053 56.8739 31.8269 174.2480 123 A 4.4808 7.2553 118.5427 50.6613 21.6852 175.3574 124 L 4.2454 8.4092 122.5234 56.1990 42.3359 178.1551 125 G 3.9419 9.9645 111.1386 45.0720 0.0000 172.2767 126 L 5.1565 7.5768 121.9965 53.2767 44.4644 175.3440 127 R 5.1907 8.9976 124.3912 54.7315 34.4339 173.9833 128 C 5.2250 8.9083 121.0477 57.9693 35.6407 172.6276 129 L 5.5502 9.0053 124.1991 53.2252 45.3764 175.3936 130 A 5.2119 8.8713 122.3240 51.0414 23.4711 174.6901 131 A 4.8481 8.6377 119.4799 50.7584 22.9400 176.1451 132 C 4.2994 8.4229 118.2260 59.3057 29.7488 172.9565 133 I 4.1519 7.7469 121.5504 59.4034 39.2891 175.1007 134 F 5.3554 8.5787 125.5883 55.6879 41.3846 175.3873 135 D 4.8186 8.6918 124.0991 51.7040 41.3167 176.8253 136 E 4.0862 8.9753 116.1507 59.1656 29.4099 177.0970 137 H 4.8063 8.9988 116.0934 55.1923 28.8904 174.9047 138 R 3.9842 8.2889 117.5904 57.6492 27.9588 175.8734 139 E 5.0040 8.3795 115.7750 53.6763 32.4640 173.8563 140 P 4.6427 0.0000 0.0000 62.5877 31.9089 175.9839 141 F 4.9077 8.1845 115.9733 56.1119 39.3322 173.8911 142 A 4.9176 6.9155 121.6578 51.4551 22.7449 174.6942 143 A 4.6429 8.5569 120.0965 50.6065 22.5553 175.7639 144 I 4.7369 8.5194 122.6490 59.2067 40.9480 174.5415 145 S 5.1672 9.1826 122.6061 56.9627 67.3123 172.3998 146 I 4.9784 8.6448 120.5397 59.7904 40.1609 175.2544 147 S 4.9430 8.4671 120.9232 57.4442 67.2560 173.6083 148 G 4.1445 8.8288 109.6249 45.7865 0.0000 170.5545 149 P 5.2661 0.0000 0.0000 62.1355 32.1893 177.8663 150 I 3.8992 8.7937 115.6791 63.7437 37.5738 178.0775 151 S 4.1227 8.0536 114.1739 59.7952 63.2876 174.6467 152 R 4.4753 7.4986 118.7810 57.4607 32.1376 176.6656 153 I 4.3358 7.5998 120.1178 60.1915 35.7038 175.5075 154 T 4.3737 7.7619 114.4333 60.6161 70.7738 176.3631 155 D 4.4816 9.0020 122.6743 57.9713 40.6078 179.1438 156 D 4.4484 8.2126 116.9561 55.8618 39.5107 177.5943 157 R 4.2431 7.9264 117.8094 55.9304 30.7545 178.0412 158 V 3.5474 7.6076 119.4534 66.4767 31.4744 177.8429 159 T 3.9235 7.8259 108.6870 64.6705 68.1488 175.6626 160 E 3.7203 7.7934 120.6923 59.2347 29.8755 178.2533 161 F 4.4319 7.6054 116.4004 60.4252 39.1982 177.5309 162 G 2.6379 8.1175 105.4552 47.1033 0.0000 176.9525 163 A 4.1692 7.6288 123.0975 51.6823 18.4107 179.7855 *165 V 3.9606 7.8268 122.5390 63.4149 33.7836 177.6295 166 I 3.6782 7.8638 121.3110 64.0423 36.9386 178.2173 167 K 3.9030 8.1486 120.0213 59.5263 32.0464 178.6443 168 A 3.9784 7.9634 120.2887 55.0523 18.3626 179.2655 169 A 3.8704 8.4947 119.7106 55.1213 18.4325 179.7156 170 K 3.9462 8.2015 118.1395 59.8420 32.2740 178.8951 171 E 4.0718 8.2962 118.8336 59.1774 29.3005 179.6475 172 V 3.5754 7.7792 118.3418 66.2946 31.6910 177.9447 173 T 3.9741 8.2755 115.9200 67.0181 68.3832 176.3573 174 L 4.0649 8.4844 120.7054 57.9154 41.4053 179.5751 175 A 4.0949 7.9092 119.8394 55.0435 18.3345 178.8744 176 Y 4.2836 8.1228 117.7563 60.9472 39.0793 178.0202 177 G 3.8643 8.3679 105.5170 47.4922 0.0000 174.0707 178 G 3.8806 7.8839 111.5252 44.8991 0.0000 173.2822 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 G 8.35 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 0.00 0.00 0.00 2 H 8.53 3.48 0.00 3.07 2.63 0.00 5.75 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 S 7.85 4.35 0.00 4.06 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 0.00 5 R 8.34 3.99 0.00 2.07 2.25 0.00 2.98 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 6 N 8.14 4.31 0.00 2.83 2.88 0.00 0.00 6.88 6.66 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 7 L 7.92 4.08 0.00 1.87 1.77 1.06 1.40 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 8 L 7.84 4.03 0.00 2.05 1.75 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.67 3.98 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 10 I 7.42 3.85 2.06 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 1.60 0.86 0.94 0.00 0.00 11 V 8.17 4.07 2.15 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 0.90 0.00 0.00 0.96 0.00 0.00 12 H 8.02 3.97 0.00 3.55 3.40 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.26 0.00 2.21 2.11 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 14 I 7.95 3.69 1.99 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 1.60 0.97 0.90 0.00 0.00 15 L 7.78 3.93 0.00 1.60 1.64 0.94 0.87 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 16 R 7.85 4.02 0.00 1.91 1.98 0.00 3.21 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 17 N 8.21 4.65 0.00 3.01 2.93 0.00 0.00 6.77 6.23 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 18 L 7.94 4.16 0.00 1.83 1.76 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.15 4.23 0.00 2.23 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 2.29 2.46 0.00 21 E 8.84 4.14 0.00 1.96 2.04 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 2.32 2.24 0.00 22 S 8.41 4.63 0.00 4.18 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 23 G 7.86 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 24 E 7.81 4.84 0.00 1.72 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 2.21 2.05 0.00 25 T 8.45 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 1.19 0.00 0.00 26 V 8.82 4.82 2.04 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 1.05 0.00 0.00 0.90 0.00 0.00 27 N 8.62 5.03 0.00 2.69 2.65 0.00 0.00 6.60 7.47 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 *29 A 8.48 4.63 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.49 4.79 2.15 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 0.80 0.00 0.00 0.96 0.00 0.00 31 L 8.11 3.95 0.00 0.27 0.89 0.46 0.99 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 32 D 8.63 4.32 0.00 2.84 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 33 Q 8.75 3.97 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 34 S 7.43 4.08 0.00 4.04 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 35 D 7.65 4.44 0.00 2.61 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 36 H 7.81 4.12 0.00 3.29 3.27 0.00 5.60 0.00 0.00 0.00 0.00 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.28 4.83 0.00 1.98 1.70 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 2.47 2.32 0.00 38 A 8.44 4.66 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 39 I 8.69 5.01 1.88 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 1.23 0.88 0.96 0.00 0.00 40 I 8.85 4.30 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 1.44 0.85 0.94 0.00 0.00 41 I 8.55 4.36 1.90 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 1.34 0.70 0.94 0.00 0.00 42 D 7.56 4.74 0.00 2.64 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 43 Q 7.94 4.78 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.60 0.00 0.00 0.00 0.00 0.00 2.19 2.42 0.00 44 V 8.71 4.35 2.04 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 1.00 0.00 0.00 0.83 0.00 0.00 45 Q 8.72 4.58 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 46 C 8.14 4.41 0.00 3.02 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 47 T 8.02 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 1.11 0.00 0.00 48 H 7.87 4.42 0.00 3.19 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.44 4.20 0.00 1.63 1.70 0.93 0.92 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 *51 R 7.74 4.10 0.00 1.94 1.23 0.00 3.07 0.00 0.00 3.37 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 *53 S 8.96 4.12 0.00 3.96 3.90 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 54 A 8.46 4.74 1.23 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 0.00 0.00 0.00 55 P 0.00 4.65 0.00 2.23 2.18 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 56 I 8.03 4.01 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 1.36 0.82 0.97 0.00 0.00 57 G 8.96 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 58 G 8.00 3.83 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 0.00 0.00 0.00 59 K 8.55 5.19 0.00 1.65 1.90 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.45 7.81 60 L 8.61 4.82 0.00 1.56 1.46 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.62 0.00 2.10 2.15 0.00 3.41 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 80 V 7.77 3.61 2.21 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 1.03 0.00 0.00 1.04 0.00 0.00 81 T 7.55 3.78 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 1.14 0.00 0.00 82 K 7.72 3.75 0.00 1.74 1.88 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.59 7.81 83 L 7.58 4.34 0.00 1.64 1.61 0.76 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.60 4.27 0.00 1.80 1.63 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.57 4.58 0.00 3.08 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.82 4.48 0.00 1.98 2.06 0.00 3.00 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 87 K 7.46 4.40 0.00 1.96 1.85 0.00 2.21 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.38 1.52 7.81 88 G 7.56 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 0.00 0.00 0.00 89 L 7.76 4.43 0.00 1.52 1.48 0.93 0.90 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 90 H 8.00 4.01 0.00 2.96 3.02 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.82 4.37 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 92 Y 8.24 4.13 0.00 3.19 3.22 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 93 T 8.41 4.60 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 1.27 0.00 0.00 94 H 8.45 4.33 0.00 3.23 3.50 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.62 4.52 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 96 T 7.32 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0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 113 R 7.85 4.11 0.00 1.81 1.91 0.00 2.43 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 0.00 114 G 9.23 4.09 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 0.00 0.00 0.00 115 Y 6.61 5.11 0.00 3.08 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 0.00 116 S 9.20 4.66 0.00 3.91 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 0.00 117 F 8.48 5.28 0.00 2.93 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 0.00 118 D 9.29 4.48 0.00 2.86 2.53 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 0.00 119 D 8.39 4.36 0.00 1.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 4.07 0.00 2.11 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 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0.00 1.57 1.46 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.87 5.21 1.15 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 0.00 0.00 131 A 8.64 4.85 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 0.00 132 C 8.42 4.30 0.00 2.25 1.83 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 0.00 133 I 7.75 4.15 1.20 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.39 0.05 0.00 0.00 134 F 8.58 5.36 0.00 3.05 2.98 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 0.00 0.00 0.00 135 D 8.69 4.82 0.00 2.82 2.34 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 0.00 136 E 8.98 4.09 0.00 2.12 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 2.02 2.23 0.00 137 H 9.00 4.81 0.00 3.35 3.40 0.00 5.79 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.29 3.98 0.00 1.98 2.01 0.00 3.09 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 139 E 8.38 5.00 0.00 2.29 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 0.00 2.41 2.56 0.00 140 P 0.00 4.64 0.00 2.32 1.95 0.00 3.88 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 141 F 8.18 4.91 0.00 3.07 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 0.00 142 A 6.92 4.92 0.74 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 0.00 0.00 143 A 8.56 4.64 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 8.52 4.74 1.78 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 1.23 1.57 0.82 0.00 0.00 145 S 9.18 5.17 0.00 3.94 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 0.00 146 I 8.64 4.98 1.76 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 1.13 0.63 0.61 0.00 0.00 147 S 8.47 4.94 0.00 3.66 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 0.00 148 G 8.83 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 0.00 0.00 0.00 149 P 0.00 5.27 0.00 2.11 2.16 0.00 3.78 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 2.02 1.92 0.00 150 I 8.79 3.90 1.90 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 1.53 0.80 0.95 0.00 0.00 151 S 8.05 4.12 0.00 4.00 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 0.00 152 R 7.50 4.48 0.00 1.78 2.04 0.00 2.99 0.00 0.00 2.95 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 153 I 7.60 4.34 1.85 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.31 0.87 0.00 0.00 154 T 7.76 4.37 4.39 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 1.29 0.00 0.00 155 D 9.00 4.48 0.00 2.75 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 0.00 156 D 8.21 4.45 0.00 2.80 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 0.00 157 R 7.93 4.24 0.00 2.11 1.65 0.00 3.18 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 158 V 7.61 3.55 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 0.40 0.00 0.00 0.75 0.00 0.00 159 T 7.83 3.92 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 1.24 0.00 0.00 160 E 7.79 3.72 0.00 1.76 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 1.96 2.02 0.00 161 F 7.61 4.43 0.00 3.08 2.84 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 0.00 162 G 8.12 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 0.00 0.00 0.00 163 A 7.63 4.17 1.26 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 0.00 0.00 0.00 *165 V 7.83 3.96 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 0.86 0.00 0.00 0.90 0.00 0.00 166 I 7.86 3.68 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.94 0.95 0.00 0.00 167 K 8.15 3.90 0.00 1.84 1.87 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.46 7.81 168 A 7.96 3.98 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 0.00 169 A 8.49 3.87 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 0.00 170 K 8.20 3.95 0.00 1.97 2.03 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 171 E 8.30 4.07 0.00 2.23 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 0.00 2.34 2.65 0.00 172 V 7.78 3.58 2.15 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 1.02 0.00 0.00 0.95 0.00 0.00 173 T 8.28 3.97 4.49 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 1.42 0.00 0.00 174 L 8.48 4.06 0.00 1.90 1.77 0.95 0.84 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 0.00 175 A 7.91 4.09 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 0.00 176 Y 8.12 4.28 0.00 3.20 3.41 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 0.00 177 G 8.37 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 0.00 178 G 7.88 3.88 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.