NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 K 4.2501 8.1733 122.0445 56.2611 33.8981 174.1954 28 E 4.5531 8.7050 127.4005 54.6540 30.8201 170.4245 29 V 4.2257 8.5758 125.0448 60.9663 34.2854 174.1559 30 V 4.4959 8.4903 128.4599 62.6823 31.5184 175.3458 31 L 4.6724 9.3993 128.3153 56.1823 43.2984 177.0324 32 L 4.6528 7.8167 119.8392 54.1485 45.9464 174.3794 33 D 5.2127 8.9340 124.9154 52.3426 42.3638 175.0033 34 F 4.1951 9.8871 128.6466 60.9347 39.6901 177.5684 35 A 3.7171 8.2034 121.0559 54.4764 18.3038 177.6230 36 A 4.3329 7.6071 116.3894 51.7577 19.0728 176.6491 37 A 3.9183 7.4264 119.1897 51.6329 19.0766 177.9005 *41 L 4.3061 7.7366 119.6392 50.5847 44.3197 176.9605 42 G 3.9110 7.9565 108.5443 46.5982 0.0000 173.6045 43 W 4.7518 8.2614 117.5024 56.2361 30.5578 177.2215 44 L 4.5948 8.6326 126.5517 54.4824 43.1597 175.2439 45 T 5.0406 8.5920 115.6531 60.1807 71.3321 172.8605 46 H 4.9751 9.1438 125.2177 53.5982 32.6934 170.8391 47 P 4.8109 0.0000 0.0000 62.8717 32.4131 175.0210 48 Y 4.4279 8.5471 122.1215 57.6667 39.2841 174.3818 49 G 3.9951 7.9377 124.3406 45.7107 0.0000 174.2497 50 K 4.2535 7.6327 119.1754 56.3111 33.6624 178.5110 51 G 4.1362 7.2872 107.7299 44.5567 0.0000 174.5922 52 W 4.5453 8.9425 124.7444 57.2118 29.7443 174.5663 53 D 5.0059 9.5747 123.1118 52.1887 44.1239 174.3225 54 L 3.9203 8.6949 127.9000 55.0968 42.6799 175.6412 55 M 4.7197 9.3523 127.8729 54.2891 33.9281 175.3671 56 Q 4.9022 8.3985 119.2174 54.7584 32.3684 173.5857 57 N 4.8004 9.0109 120.3622 51.6729 41.3635 174.1580 58 I 4.1067 8.2389 119.4587 60.9362 37.9971 175.9580 59 M 4.3831 8.2098 118.5551 55.8139 32.4747 174.9484 60 N 5.1033 7.4363 115.8340 50.9631 42.0063 173.7104 61 D 4.5225 8.7691 117.8120 57.4336 40.9240 177.2682 62 M 4.8180 7.5176 115.9287 52.3791 35.5368 173.3437 63 P 4.4763 0.0000 0.0000 62.7594 32.7466 175.4126 64 I 4.3807 7.8889 122.1079 59.7205 39.9479 174.2029 65 Y 5.2622 8.2649 123.4981 56.6793 41.4466 174.9158 66 M 5.1290 9.1610 121.3292 54.5655 37.3298 173.3308 67 Y 5.1816 8.3186 121.2400 57.0564 40.1834 174.9026 68 S 5.4932 9.4328 117.5188 57.2170 67.5322 172.8919 69 V 4.4959 8.3817 118.3574 60.1728 34.5883 174.5997 70 C 4.9841 7.7941 121.2428 55.8853 43.9102 175.3699 71 N 4.4611 7.5886 118.0535 52.2275 36.9109 176.0380 72 V 4.0722 7.1754 109.4443 61.5325 32.5999 176.8268 73 M 4.4587 7.5776 118.5113 55.6377 34.0019 177.0200 74 S 4.2317 8.0256 113.4662 58.4772 63.7129 175.3476 75 G 4.0286 7.8621 104.1033 46.6701 0.0000 172.1568 76 D 4.3787 8.3506 116.8606 55.0920 38.4972 174.3540 77 Q 4.2978 7.6939 116.4841 55.9343 30.3247 176.2412 78 D 5.0639 8.1838 119.2053 53.3314 42.3183 173.1624 79 N 5.1498 8.9904 119.8119 51.1407 41.5438 174.8154 80 W 5.1135 9.3192 123.4193 54.6964 32.6323 174.4120 81 L 4.8555 8.5555 125.2830 53.0374 44.6596 174.9157 82 R 4.8549 8.5733 126.7226 54.3366 33.0143 175.2425 83 T 2.4800 8.1791 117.3680 60.0954 69.9636 173.4942 84 N 4.6982 8.1123 119.3328 52.1220 37.9558 174.2749 85 W 3.2847 8.5506 129.1542 57.1372 31.5598 175.0638 86 V 3.9434 7.0688 126.6125 60.6822 33.5364 174.2654 87 Y 3.9337 8.1560 125.4671 57.8879 38.2954 176.1124 88 R 4.1827 9.3234 124.8100 57.6749 31.5559 177.7841 89 G 3.8020 7.6310 105.2128 47.2639 0.0000 174.3933 90 E 4.2099 8.7244 123.3569 55.6658 29.8133 176.0545 91 A 3.1429 6.8341 122.6180 52.4597 19.1383 176.2100 92 E 4.3738 8.7444 121.3395 57.1039 32.4057 175.2989 93 R 4.8695 7.9248 118.7062 54.2881 32.0306 174.7153 94 I 4.5521 8.0288 120.0714 59.3772 40.4127 174.3898 95 F 4.8299 9.1025 123.2205 55.6691 41.7296 174.5595 96 I 4.9334 9.3083 124.6111 59.5311 40.1314 173.9632 97 E 5.2126 9.7906 129.0377 54.4794 31.9425 174.3538 98 L 5.5126 9.4755 127.4061 53.0121 44.9047 175.5867 99 K 5.3912 8.9758 122.6663 54.7825 35.4236 175.1898 100 F 5.3626 8.7152 117.8024 56.4610 41.7917 172.9724 101 T 5.1112 8.7640 110.4546 60.4306 71.5533 173.6109 102 V 5.0054 8.5811 122.2797 61.3525 35.0198 173.9719 103 R 5.0700 8.8816 128.9279 54.7955 31.3505 175.6900 104 D 4.7472 8.9175 126.6361 53.6136 39.9658 177.0999 105 C 4.7557 10.2472 119.3992 60.2092 40.4558 175.7450 106 N 4.2433 8.1652 115.7937 55.3142 38.1897 175.5631 107 S 4.3031 7.7400 111.7553 58.2462 63.2239 173.7410 108 F 4.7027 7.6115 121.8489 55.0501 39.5783 173.6298 109 P 4.3431 0.0000 0.0000 64.2038 31.5694 176.8188 110 G 3.8747 8.5642 110.0020 44.6676 0.0000 174.0664 111 G 3.9216 7.9349 105.8201 46.1680 0.0000 174.0164 112 A 4.6578 8.2127 125.6165 49.6815 18.7693 176.5069 113 S 4.1607 8.2616 115.9941 59.9439 63.6518 176.3600 114 S 4.5553 7.7440 113.3237 57.8494 63.5644 174.7653 115 C 4.4978 7.9877 122.2761 56.7857 41.4030 172.5148 116 K 4.8293 8.7565 124.7934 54.9434 35.0738 176.1909 117 E 4.6007 8.7568 117.1635 56.1595 30.4700 175.6090 118 T 5.1157 7.8211 108.1675 60.0106 72.3564 172.2278 119 F 5.1064 8.2909 115.6542 55.7404 42.1380 172.6716 120 N 5.3457 9.4741 116.5010 51.4139 41.5268 173.6547 121 L 4.8773 8.8024 124.9329 53.7427 44.4882 174.8557 122 Y 5.4629 9.0522 123.1958 56.8020 42.9521 173.4292 123 Y 5.6174 9.2649 117.3737 56.6384 42.2657 173.4655 124 A 4.2825 8.8910 120.3900 50.4762 22.6758 175.4184 125 E 5.0191 8.4869 121.0639 55.7811 31.6480 175.6626 126 S 4.7942 8.7520 115.2708 57.7565 66.1779 174.9369 127 D 4.9504 9.0922 125.2687 55.2505 41.1713 176.0975 128 L 4.2579 7.6019 118.1279 53.4013 43.4952 175.3939 129 D 4.0843 7.6307 120.0374 54.1275 41.4771 176.0398 130 Y 4.1552 9.6405 125.2577 58.5191 39.0757 177.3509 131 G 3.7629 8.6542 109.7187 47.2899 0.0000 175.0505 132 T 4.2818 8.5551 113.8397 61.7873 69.3024 174.8731 133 N 4.5320 7.8246 120.7578 53.5075 39.0762 174.3275 134 F 4.5652 8.2271 123.4676 56.8616 42.7450 173.4745 135 Q 3.7882 7.1565 125.4475 53.5286 32.3353 175.8257 136 K 2.4800 7.5520 122.8855 59.2016 32.3340 178.9716 137 R 3.9524 7.3441 114.0085 57.8355 29.5009 176.8861 138 L 4.2119 7.3866 117.5621 54.9631 42.0168 176.3583 139 F 4.5544 7.7052 117.6701 55.9617 41.1609 174.9579 140 T 4.7487 8.5537 119.8293 61.4013 71.0820 173.8519 141 K 3.2096 8.5486 127.4299 56.7291 32.4803 176.1650 142 I 4.1436 8.5799 128.8487 62.6336 38.0399 175.3970 143 D 4.4160 7.2379 118.1316 53.3828 44.4775 174.4051 144 T 4.5456 8.3971 120.1823 63.1978 69.5016 173.9084 145 I 4.1333 8.6720 127.5959 59.9065 38.3961 174.9473 146 A 4.9620 8.3740 128.7107 49.7016 20.7841 175.1255 147 P 4.6198 0.0000 0.0000 66.1182 31.9735 177.3624 148 D 4.8182 7.9334 115.0248 54.5552 47.3800 180.4786 *160 H 5.5941 7.9844 116.0894 54.8373 31.6990 172.7176 161 V 4.6028 7.9989 120.2823 61.7645 32.8084 175.6694 162 K 4.6321 8.9973 132.4799 53.6124 33.8375 171.9447 163 L 4.7239 8.4041 124.9703 53.2749 43.0319 176.0052 164 N 4.8705 8.7048 119.2261 51.3875 43.2335 173.5405 165 V 4.9089 8.2730 121.1846 61.2850 34.3227 174.4200 166 E 4.9802 9.8109 127.0415 54.5640 33.6763 174.3204 167 E 5.3604 8.9543 122.9725 54.6900 32.7711 174.7232 168 R 4.9733 9.0759 123.9440 54.5776 35.1046 173.8293 169 S 4.8334 8.1425 113.9083 57.0772 66.6785 173.4120 170 V 4.0915 7.1267 117.8856 60.2631 34.5810 173.2307 171 G 4.1286 7.7472 109.7355 45.2390 0.0000 170.3097 172 P 4.6775 0.0000 0.0000 62.5807 31.9131 176.2224 173 L 4.6069 8.5239 124.0495 54.0026 42.7989 176.7350 174 T 4.5228 8.9034 109.5202 60.8929 70.1870 173.9834 175 R 4.6045 7.8592 121.0069 54.5712 32.4342 176.0920 176 K 4.2398 9.2148 117.9558 59.9170 33.2164 177.4153 177 G 2.5895 8.0537 105.1604 45.4484 0.0000 171.4309 178 F 5.3094 6.9371 112.8503 56.0927 41.6971 172.7905 179 Y 4.9681 9.4022 117.2980 56.3432 41.3317 175.1090 180 L 5.4319 8.6373 121.5924 53.5952 44.8124 175.3345 181 A 4.8381 8.5719 121.1716 50.5156 23.3931 175.1164 182 F 5.1201 8.9851 118.6243 55.6304 42.3884 173.9976 183 Q 4.1573 9.0084 125.7908 54.0739 30.8250 173.4868 184 D 5.0959 9.4486 127.4751 52.6222 42.8811 176.5319 185 I 4.8624 7.6606 116.9690 59.8990 38.1432 175.0091 186 G 3.8840 7.5410 109.3032 46.4953 0.0000 174.3673 187 A 5.5019 8.7632 122.9820 49.7210 21.3067 175.8852 188 C 5.1983 8.4326 118.5454 55.0310 46.7145 172.4581 189 V 5.5016 9.0967 125.4209 59.9366 35.2684 173.4997 190 A 5.2084 8.5951 128.8897 50.1324 21.6601 175.0909 191 L 4.6354 9.6235 124.2881 54.2792 42.1673 177.5457 192 L 4.5831 9.1457 125.3083 56.5831 43.1500 177.5632 193 S 4.8978 7.8783 112.0007 57.1312 66.2208 173.4435 194 V 5.0414 8.9175 125.7817 61.4945 34.6890 173.9203 195 R 5.3911 9.3502 127.2311 54.4321 33.6028 174.8697 196 V 5.1931 9.4085 124.0083 61.3466 34.4614 173.9166 197 Y 5.6721 8.7910 124.9527 55.7263 42.2432 173.0787 198 Y 5.3485 8.8078 117.0068 55.3282 42.2294 174.0416 199 K 4.8599 8.9632 118.9535 54.6937 33.9309 176.6702 200 K 4.3517 8.5758 125.6987 56.4981 31.8004 175.7019 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 27 K 8.17 4.25 0.00 1.91 1.70 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.05 7.81 28 E 8.71 4.55 0.00 1.75 1.59 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 2.15 2.19 0.00 29 V 8.58 4.23 1.17 0.00 0.00 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 0.64 0.00 0.00 30 V 8.49 4.50 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 0.97 0.00 0.00 31 L 9.40 4.67 0.00 1.86 1.87 1.25 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.82 4.65 0.00 1.89 1.68 1.34 1.40 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 33 D 8.93 5.21 0.00 2.78 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 34 F 9.89 4.20 0.00 3.32 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 35 A 8.20 3.72 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 36 A 7.61 4.33 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 37 A 7.43 3.92 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 *41 L 7.74 4.31 0.00 1.60 1.41 0.27 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.96 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 43 W 8.26 4.75 0.00 3.12 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 44 L 8.63 4.59 0.00 1.74 1.38 0.93 0.40 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 45 T 8.59 5.04 4.54 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 1.33 0.00 0.00 46 H 9.14 4.98 0.00 3.12 3.00 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.81 0.00 2.15 2.05 0.00 3.94 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 48 Y 8.55 4.43 0.00 3.11 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 49 G 7.94 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 50 K 7.63 4.25 0.00 1.74 1.83 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.37 7.81 51 G 7.29 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 52 W 8.94 4.55 0.00 3.12 3.18 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 53 D 9.57 5.01 0.00 2.72 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.69 3.92 0.00 1.37 1.50 0.27 0.82 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 55 M 9.35 4.72 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 56 Q 8.40 4.90 0.00 1.86 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 57 N 9.01 4.80 0.00 2.63 2.54 0.00 0.00 6.82 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.24 4.11 1.83 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 1.38 0.82 0.80 0.00 0.00 59 M 8.21 4.38 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 60 N 7.44 5.10 0.00 2.60 2.69 0.00 0.00 7.01 8.06 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 61 D 8.77 4.52 0.00 2.63 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 62 M 7.52 4.82 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 63 P 0.00 4.48 0.00 1.32 1.73 0.00 3.65 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 1.95 2.04 0.00 64 I 7.89 4.38 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.84 0.00 0.00 65 Y 8.26 5.26 0.00 2.39 2.49 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 66 M 9.16 5.13 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 67 Y 8.32 5.18 0.00 2.70 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 68 S 9.43 5.49 0.00 3.96 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 69 V 8.38 4.50 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 0.00 0.00 -0.57 0.00 0.00 0.46 0.00 0.00 70 C 7.79 4.98 0.00 2.85 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 71 N 7.59 4.46 0.00 2.63 2.66 0.00 0.00 7.17 7.68 0.00 0.00 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 V 7.18 4.07 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 -0.17 0.00 0.00 73 M 7.58 4.46 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 74 S 8.03 4.23 0.00 3.78 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 75 G 7.86 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 76 D 8.35 4.38 0.00 2.80 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 77 Q 7.69 4.30 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 78 D 8.18 5.06 0.00 2.65 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 79 N 8.99 5.15 0.00 2.42 2.69 0.00 0.00 6.85 7.64 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 80 W 9.32 5.11 0.00 3.25 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 4.86 0.00 0.34 0.54 -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.57 4.85 0.00 1.30 1.40 0.00 2.74 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 83 T 8.18 2.48 3.52 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 0.40 0.00 0.00 84 N 8.11 4.70 0.00 3.00 3.29 0.00 0.00 5.94 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 85 W 8.55 3.28 0.00 2.70 2.70 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 86 V 7.07 3.94 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 0.65 0.00 0.00 0.67 0.00 0.00 87 Y 8.16 3.93 0.00 2.88 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 88 R 9.32 4.18 0.00 1.88 2.01 0.00 3.44 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 89 G 7.63 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 90 E 8.72 4.21 0.00 2.23 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 2.26 1.86 0.00 91 A 6.83 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.74 4.37 0.00 1.96 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 2.20 2.20 0.00 93 R 7.92 4.87 0.00 1.69 1.72 0.00 3.13 0.00 0.00 2.86 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.23 0.00 94 I 8.03 4.55 1.64 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.11 0.62 0.00 0.00 95 F 9.10 4.83 0.00 1.51 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 96 I 9.31 4.93 1.89 0.00 0.00 0.68 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 0.62 1.06 0.00 0.00 97 E 9.79 5.21 0.00 2.27 2.05 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 2.37 2.42 0.00 98 L 9.48 5.51 0.00 1.96 1.89 1.25 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.98 5.39 0.00 1.79 1.73 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.48 7.81 100 F 8.72 5.36 0.00 3.30 3.15 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 0.00 101 T 8.76 5.11 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 1.24 0.00 0.00 102 V 8.58 5.01 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 1.16 0.00 0.00 1.40 0.00 0.00 103 R 8.88 5.07 0.00 1.90 1.95 0.00 3.22 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.60 0.00 104 D 8.92 4.75 0.00 2.90 2.77 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 0.00 105 C 10.25 4.76 0.00 3.06 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 0.00 106 N 8.17 4.24 0.00 2.71 2.88 0.00 0.00 6.91 7.57 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 0.00 107 S 7.74 4.30 0.00 3.75 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 0.00 108 F 7.61 4.70 0.00 3.13 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 0.00 109 P 0.00 4.34 0.00 2.20 2.07 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 110 G 8.56 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 0.00 111 G 7.93 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 0.00 0.00 0.00 112 A 8.21 4.66 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 0.00 113 S 8.26 4.16 0.00 3.99 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 0.00 114 S 7.74 4.56 0.00 3.96 3.97 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 0.00 115 C 7.99 4.50 0.00 3.03 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 4.83 0.00 1.77 1.67 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.50 7.81 117 E 8.76 4.60 0.00 1.97 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 2.29 2.32 0.00 118 T 7.82 5.12 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 1.23 0.00 0.00 119 F 8.29 5.11 0.00 3.39 3.12 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 0.00 120 N 9.47 5.35 0.00 2.77 2.88 0.00 0.00 6.92 6.31 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 0.00 121 L 8.80 4.88 0.00 1.75 1.56 0.77 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 9.05 5.46 0.00 3.25 3.23 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 0.00 123 Y 9.26 5.62 0.00 3.29 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.89 4.28 0.05 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 0.00 125 E 8.49 5.02 0.00 1.88 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 0.00 2.42 2.43 0.00 126 S 8.75 4.79 0.00 4.33 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 0.00 127 D 9.09 4.95 0.00 2.75 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 0.00 128 L 7.60 4.26 0.00 1.43 1.41 0.51 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 129 D 7.63 4.08 0.00 1.90 2.32 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 0.00 130 Y 9.64 4.16 0.00 3.04 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 0.00 131 G 8.65 3.76 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 0.00 0.00 0.00 132 T 8.56 4.28 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 0.00 133 N 7.82 4.53 0.00 3.11 2.89 0.00 0.00 6.62 7.20 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 0.00 134 F 8.23 4.57 0.00 2.70 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 0.00 135 Q 7.16 3.79 0.00 1.70 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.63 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 136 K 7.55 2.48 0.00 0.79 0.74 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.07 1.07 7.81 137 R 7.34 3.95 0.00 1.85 1.97 0.00 2.94 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 138 L 7.39 4.21 0.00 1.51 1.52 0.87 0.75 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 0.00 139 F 7.71 4.55 0.00 3.02 3.25 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *160 H 7.98 5.59 0.00 3.09 3.50 0.00 6.03 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.00 4.60 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 0.77 0.00 0.00 0.93 0.00 0.00 162 K 9.00 4.63 0.00 1.45 1.66 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.29 1.27 7.81 163 L 8.40 4.72 0.00 1.46 1.55 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.70 4.87 0.00 1.44 1.92 0.00 0.00 6.23 7.19 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 0.00 165 V 8.27 4.91 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 0.90 0.00 0.00 0.93 0.00 0.00 166 E 9.81 4.98 0.00 2.16 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 2.48 2.71 0.00 167 E 8.95 5.36 0.00 2.08 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 2.37 2.68 0.00 168 R 9.08 4.97 0.00 1.67 1.67 0.00 3.24 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 169 S 8.14 4.83 0.00 2.85 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 0.00 170 V 7.13 4.09 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 171 G 7.75 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 0.00 0.00 0.00 0.00 172 P 0.00 4.68 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 173 L 8.52 4.61 0.00 1.45 1.52 0.23 0.65 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 0.00 174 T 8.90 4.52 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 1.19 0.00 0.00 175 R 7.86 4.60 0.00 1.85 2.10 0.00 3.41 0.00 0.00 3.64 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 176 K 9.21 4.24 0.00 2.03 2.33 0.00 2.13 0.00 0.00 1.91 0.00 0.00 3.16 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.64 1.57 7.81 177 G 8.05 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 0.00 0.00 0.00 178 F 6.94 5.31 0.00 3.25 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 0.00 179 Y 9.40 4.97 0.00 3.03 3.10 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 0.00 180 L 8.64 5.43 0.00 1.42 1.29 1.02 0.93 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 0.00 181 A 8.57 4.84 1.07 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 0.00 0.00 182 F 8.99 5.12 0.00 2.29 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 0.00 183 Q 9.01 4.16 0.00 0.93 1.42 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 1.86 1.20 0.00 184 D 9.45 5.10 0.00 2.22 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 0.00 0.00 0.00 0.00 185 I 7.66 4.86 1.87 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 1.32 1.63 0.91 0.00 0.00 186 G 7.54 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 0.00 187 A 8.76 5.50 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 0.00 188 C 8.43 5.20 0.00 3.07 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 V 9.10 5.50 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 1.17 0.00 0.00 0.99 0.00 0.00 190 A 8.60 5.21 1.28 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 0.00 0.00 191 L 9.62 4.64 0.00 1.60 1.40 -0.40 -0.44 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 0.00 192 L 9.15 4.58 0.00 1.68 1.81 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 193 S 7.88 4.90 0.00 4.00 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 0.00 194 V 8.92 5.04 2.51 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 1.45 0.00 0.00 0.93 0.00 0.00 195 R 9.35 5.39 0.00 2.00 2.04 0.00 3.19 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 196 V 9.41 5.19 2.33 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 1.23 0.00 0.00 1.15 0.00 0.00 197 Y 8.79 5.67 0.00 3.27 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 0.00 198 Y 8.81 5.35 0.00 3.33 3.10 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 0.00 199 K 8.96 4.86 0.00 1.75 1.79 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.37 7.81 200 K 8.58 4.35 0.00 1.59 1.59 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.