NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 D 4.6677 8.2233 120.5334 54.3737 43.2983 177.6331 -1 K 3.8648 7.9312 118.2234 58.9674 31.8546 177.7544 0 L 4.0856 8.0611 119.0798 57.6650 42.0473 178.4314 1 H 4.1391 8.0729 118.4063 59.0305 29.8996 177.3010 2 S 4.1985 8.2711 116.2983 61.3670 62.8554 176.4385 3 Q 3.9414 8.0483 121.2149 58.8192 28.4471 178.7810 4 A 3.9488 7.8486 121.3348 54.9117 18.2907 179.3985 5 N 4.2746 8.2475 115.1731 56.3512 38.5603 177.3725 6 L 3.6243 7.9432 121.5045 58.4760 42.3799 178.6364 7 M 3.8425 8.0597 118.8104 58.5278 31.8406 178.9402 8 R 3.8058 8.0734 118.6207 59.1486 30.3356 178.0207 9 L 3.0752 7.8206 120.4141 58.0186 41.8312 179.2396 10 K 2.9252 7.5608 118.3828 58.9960 31.6403 179.4043 11 S 4.0432 7.4380 112.1335 61.4644 62.4161 175.5507 12 D 4.4705 8.2377 120.7528 57.2047 40.5720 178.6687 13 L 4.2114 7.3844 118.4844 56.4175 41.8278 177.4659 14 F 4.6641 7.5137 119.3446 56.4458 38.9450 175.0839 *20 Y 4.3878 8.2676 126.9596 57.0487 38.7400 172.1167 21 P 4.4492 0.0000 0.0000 62.3940 31.5974 176.6300 22 G 2.9363 5.9050 103.9994 44.2405 0.0000 171.5949 23 P 4.3664 0.0000 0.0000 62.4039 32.0474 175.1511 24 T 4.7629 7.6910 108.0880 59.7029 71.9987 174.0205 25 K 4.5397 8.6746 120.1488 59.0828 32.0472 178.4699 26 D 4.4751 7.9556 117.0355 56.2839 41.8957 176.0504 27 D 4.7744 7.9177 118.0594 51.8531 40.9598 172.3201 28 P 5.0103 0.0000 0.0000 62.3720 33.3592 176.8536 29 L 4.8640 8.8913 122.1648 53.6355 45.6878 174.9728 30 T 5.0348 8.6142 121.3307 61.9793 70.5201 173.7971 31 V 4.6743 8.9516 127.2335 61.5932 33.7782 174.6174 32 T 4.8687 9.0038 125.6310 63.0739 69.7466 173.8876 33 L 5.2869 8.7803 125.9489 53.0920 45.2637 176.3630 34 G 4.1792 8.3438 107.9387 45.0871 0.0000 171.6610 35 F 5.1020 9.6617 123.0835 55.7639 42.0945 175.0699 36 T 4.7074 8.6789 119.2869 61.6460 71.1803 172.8051 37 L 4.6710 8.5323 130.2184 54.5564 42.9754 177.0182 38 Q 4.5132 9.0767 125.8035 58.0519 30.7422 175.5021 39 D 4.2227 7.7239 114.3510 53.3059 44.7393 174.8612 40 I 4.6350 8.7325 127.3222 60.4836 37.1389 175.8082 41 V 4.0110 8.6826 128.7031 65.2234 32.3252 176.5089 42 K 4.8761 7.8959 120.0194 54.8994 35.8765 174.5271 43 A 4.9204 8.7762 127.9028 50.2843 21.8589 174.7500 44 D 4.8450 9.3174 124.2375 52.9227 42.0903 177.1883 45 S 4.4192 8.8102 121.2919 59.7609 63.7519 175.6284 46 S 4.3038 8.3781 116.2597 60.4240 63.0106 174.8633 47 T 4.3856 7.7189 107.3940 60.0810 70.3465 172.9215 48 N 4.2995 7.9247 118.7325 53.8649 36.6898 173.3477 49 E 4.9652 7.5375 116.1229 54.4246 34.0948 176.9017 50 V 4.6653 7.9909 122.8211 61.0862 35.1735 173.6662 51 D 5.5577 9.1569 127.1617 52.7466 43.0082 175.3282 52 L 5.3854 9.3418 123.6590 52.9378 45.3321 175.4784 53 V 4.9309 8.8376 122.4563 61.4210 34.1778 174.0344 54 Y 5.2811 8.0235 124.2357 56.4342 41.8190 172.6060 55 Y 5.3023 8.4746 117.5367 55.1241 42.1143 174.0413 56 E 4.6050 8.7619 121.0439 54.3398 32.8302 174.2763 57 Q 4.6876 9.1514 129.4113 55.5184 30.7297 174.2482 58 Q 5.3287 9.3387 125.6502 54.2998 32.1777 174.8531 59 R 5.4636 9.4095 121.6849 53.3949 34.8198 174.2350 60 W 5.5540 7.9428 118.2184 55.6568 32.0353 172.8589 61 K 4.9060 8.6854 120.4458 54.7508 34.8310 174.9716 62 L 4.6306 8.8613 127.1126 52.7914 44.5228 177.3511 63 N 4.2996 9.0629 121.6711 56.4518 38.7038 177.1135 64 S 4.3416 8.0110 110.6630 60.2514 63.5201 174.3688 65 L 4.8054 7.8900 120.8796 54.9375 42.6076 175.9740 66 M 4.8240 7.9550 119.1145 54.8736 32.8738 175.5105 67 W 5.3232 8.3232 118.2091 55.4575 32.3691 173.5989 68 D 4.7233 8.9802 119.9028 52.3096 41.2785 174.9423 69 P 4.9176 0.0000 0.0000 65.3871 31.0502 178.2014 70 N 4.5154 8.3754 113.5674 55.6577 38.6499 176.2474 71 E 4.1965 8.1118 118.0976 57.1427 30.0303 176.1501 72 Y 4.6946 7.2628 117.5143 57.6801 39.3297 175.5141 73 G 4.0147 8.7998 104.2810 46.8306 0.0000 173.8696 74 N 4.2868 8.7425 114.7343 53.9560 37.9224 173.8910 75 I 4.0154 7.7707 117.9568 61.3732 37.5712 176.6218 76 T 4.7603 8.6986 115.2268 62.4694 71.0215 173.5503 77 D 5.6205 8.2698 119.5473 52.9194 42.3645 174.2440 78 F 5.0891 8.9697 113.5300 55.7865 41.6691 173.3703 79 R 4.9466 8.6858 118.9035 55.8449 31.3952 175.8768 80 T 4.8713 8.8499 116.6058 60.2611 71.6822 173.0733 81 S 4.4699 8.8943 121.5323 58.4269 62.8029 175.2137 82 A 3.7955 8.8843 130.2152 54.6864 18.2770 179.5586 83 A 3.9834 7.4981 118.2446 54.8751 18.4518 178.2615 84 D 4.3110 7.7713 114.5560 55.1343 41.2548 176.1448 85 I 4.7451 6.9328 110.9818 57.9948 40.7539 174.8979 86 W 4.3618 8.9382 131.2020 57.6183 31.2190 175.3402 87 T 3.8901 6.9035 113.6927 58.3062 71.2969 171.8605 88 P 3.4523 0.0000 0.0000 62.5915 32.0938 176.2413 89 D 4.7237 8.2912 121.3531 53.1470 38.5923 176.6457 90 I 4.4738 7.5657 118.9699 62.8565 38.2980 177.5042 91 T 4.9222 9.4551 123.4556 61.4133 72.6850 173.4669 92 A 3.8028 8.7949 127.1383 52.3120 18.8852 177.0025 93 Y 5.0135 8.6952 118.3236 57.9521 39.7313 176.7134 94 S 4.9240 7.5971 114.8614 57.5783 63.7926 174.1880 95 S 4.7717 8.3139 114.8049 59.9144 63.3101 173.7338 96 T 4.5576 8.6003 110.6407 61.5339 69.5538 174.0819 97 R 4.7131 7.5160 119.5353 53.8097 34.3006 172.9553 98 P 4.3686 0.0000 0.0000 62.2896 31.9402 177.0215 99 V 3.9780 8.2520 121.5657 62.3522 32.3141 175.1321 100 Q 4.5966 8.8157 121.7711 54.2006 30.8187 175.0116 101 V 4.2046 8.4346 124.8649 62.8278 31.8956 175.4926 102 L 4.7695 9.1269 127.1760 54.5424 43.0011 176.3161 103 S 4.8106 7.7402 112.2644 55.2503 66.3378 172.3046 104 P 4.3277 0.0000 0.0000 63.4708 32.1198 177.5875 105 Q 4.7799 8.4861 122.6016 55.0357 26.9509 174.4219 106 I 5.1181 7.8326 119.2471 59.3376 41.4155 175.4202 107 A 5.0462 9.0931 127.3113 50.1213 23.0466 174.7266 108 V 4.5653 8.6188 118.8573 61.1195 34.2365 174.4046 109 V 4.5897 8.3392 127.9513 61.3624 33.8001 174.4950 110 T 5.1208 8.4881 124.1289 61.6292 71.4861 175.2987 111 H 2.0000 8.2755 119.3426 57.3219 28.4268 176.6999 112 D 4.2826 7.1674 117.5770 53.4329 39.4775 177.0032 113 G 3.8817 8.1457 109.2334 45.8734 0.0000 173.4687 114 S 4.7064 7.6675 114.4902 57.6667 64.9354 173.4227 115 V 4.5148 8.5342 121.6088 61.1137 34.6748 173.7848 116 M 5.0161 8.7195 126.4279 53.7193 35.7102 173.9778 117 F 5.2428 9.0502 127.1226 56.7552 43.1823 173.7233 118 I 5.1662 7.9194 126.0232 57.7250 36.7444 172.7774 119 P 4.0879 0.0000 0.0000 62.4664 32.9163 176.8792 120 A 4.8966 8.9234 126.9529 51.3608 20.7748 176.0104 121 Q 4.7995 8.5611 118.7060 54.3848 34.0343 173.6140 122 R 4.9608 8.8916 123.4765 54.6193 32.3353 174.4621 123 L 5.0945 9.1189 128.5455 53.4404 45.2685 174.8736 124 S 5.5864 8.7877 122.0685 57.1549 65.1671 173.1206 125 F 5.4047 8.9022 118.5375 55.0143 42.0795 173.6317 126 M 4.4993 8.7581 119.7775 56.0004 31.9232 175.8173 127 C 4.5578 8.6995 123.8556 55.6255 47.7804 172.3488 128 D 4.9696 8.7662 127.0712 52.9547 41.0855 173.4231 129 P 4.5901 0.0000 0.0000 62.8317 31.6301 175.6594 130 T 4.0002 7.9521 116.3804 65.8633 68.7391 174.2283 131 G 4.0405 9.1929 114.2718 45.2608 0.0000 175.5970 132 V 3.4572 7.8242 119.8664 64.3100 31.2017 176.8634 133 D 4.9747 7.9439 118.5289 52.9506 39.4601 175.5843 134 S 4.7541 7.8792 113.5821 56.8431 66.3033 174.4073 135 E 4.0315 8.7193 121.3667 59.0183 29.5609 177.7860 136 E 3.9083 8.0916 116.1418 57.0709 30.0503 177.6563 137 G 3.6064 7.5269 105.7109 44.3840 0.0000 171.8479 138 A 4.5917 7.9051 119.5697 50.5450 21.6190 176.5689 139 T 5.1696 8.1558 115.1012 62.1486 71.9894 174.2010 140 C 5.3370 9.5228 121.9151 55.6272 45.4485 172.7099 141 A 5.4215 8.6505 120.7136 50.7916 22.1299 176.1495 142 V 4.3265 8.6299 119.9316 60.1865 35.0543 174.0611 143 K 4.8309 8.4622 123.4447 55.1381 34.5149 175.3173 144 F 4.7711 8.4989 122.0288 55.7556 42.7025 174.6652 145 G 4.4910 8.0779 108.3078 46.1310 0.0000 172.2717 146 S 5.0645 8.9835 114.8972 57.7879 62.4286 174.1561 147 W 4.5351 9.5106 135.0000 59.6165 30.6981 177.2690 148 V 4.2135 8.1906 108.2107 60.9159 33.1173 174.8301 149 Y 4.8576 8.3128 118.4166 56.0698 39.6216 175.9839 150 S 4.1608 9.3775 119.7658 56.8755 64.4395 175.2406 151 G 3.7447 7.9225 109.3388 48.9008 0.0000 175.0359 152 F 4.8059 8.0430 118.6552 59.5464 39.5329 176.5898 153 E 4.4174 8.4134 119.1161 57.1236 32.0798 175.9284 154 I 4.9659 8.0464 120.7580 59.5615 40.4161 174.5777 155 D 5.0058 9.0942 127.3358 52.9669 43.3571 174.9147 156 L 5.3728 8.4519 122.5556 52.9224 44.4815 175.7117 157 K 4.8633 9.1212 123.0984 54.8286 35.7611 174.9079 158 T 5.1180 8.4695 114.6796 60.1638 71.2535 173.6293 159 D 4.5847 8.7891 121.6374 56.4166 41.5940 176.6949 160 T 4.6330 7.4133 111.1763 60.8338 70.2470 172.3421 161 D 5.5317 8.5809 124.7145 52.9891 40.9583 175.0083 162 Q 4.7312 8.0815 119.5904 54.4177 29.8866 175.9208 163 V 3.7344 8.2924 125.1469 62.8526 32.6930 175.0771 164 D 4.4859 9.1403 127.9820 54.1402 42.0015 176.2197 165 L 4.6224 8.4908 125.1511 54.4841 42.2611 178.5267 166 S 4.2723 8.7785 115.5547 60.6213 63.0052 175.2678 167 S 4.7538 7.8833 115.4655 58.1640 63.0251 173.1253 168 Y 4.3906 7.8114 122.1699 56.6805 39.1820 174.9850 169 Y 4.1896 8.3122 128.6751 57.7464 39.0058 176.8443 170 A 4.1013 8.6109 130.5505 54.4060 18.7493 177.7814 171 S 4.4057 5.9353 110.5511 57.7945 63.4625 174.2485 172 S 4.3745 6.9036 114.6100 58.6095 62.6129 174.7187 173 K 4.0052 8.7325 123.9690 58.6992 32.8291 176.1392 174 Y 5.3784 8.1260 117.2302 55.9689 41.0586 175.0791 175 E 4.7472 9.3782 121.9361 55.0952 32.3666 174.8269 176 I 4.5984 7.9213 122.6684 60.6279 37.7384 175.5631 177 L 4.4597 9.0486 127.9502 57.0284 42.7189 177.1352 178 S 4.6690 7.7785 109.6904 57.7627 66.2778 174.8593 179 A 5.1460 8.2024 122.9311 51.2943 21.9670 175.2681 180 T 5.1934 8.9735 113.0493 59.9789 72.8816 173.4689 181 Q 4.8103 8.9950 120.4578 55.0182 31.5667 174.0479 182 T 4.8237 8.8128 121.7329 61.1237 71.5437 173.8479 183 R 4.5717 8.8014 127.6097 56.5976 31.0844 175.5298 184 Q 4.7348 9.2384 124.6708 54.0402 32.6479 174.3154 185 V 5.0188 8.4767 123.0603 61.1609 33.7913 174.3833 186 Q 4.6261 9.3342 124.9143 55.3454 32.5745 172.8670 187 H 5.1578 8.4756 115.9667 54.2604 31.6007 173.3717 188 Y 4.6637 8.3275 118.8395 55.7447 40.6009 177.0305 189 S 4.1777 8.7790 116.2097 61.5920 63.1897 174.6653 190 C 4.3932 8.2662 114.5929 57.9376 41.4310 174.6320 191 C 5.1495 7.7817 115.7727 54.4872 43.9709 172.4862 192 P 4.2747 0.0000 0.0000 65.1822 31.5089 176.9375 193 E 3.7715 7.9626 116.1874 54.9019 30.4548 174.4936 194 P 4.2779 0.0000 0.0000 62.8387 33.1810 174.3708 195 Y 4.8704 9.2367 118.8795 56.2847 41.3695 174.7184 196 I 5.3148 8.5703 122.9019 59.7046 40.5864 174.2899 197 D 5.0465 9.1284 124.6431 52.0502 43.8922 173.9184 198 V 4.7223 9.0407 119.0452 61.1681 34.0267 173.6181 199 N 4.8797 9.1168 127.9668 52.3037 40.3930 173.3079 200 L 4.7028 8.7663 130.0702 53.8868 43.7137 175.1738 201 V 4.7473 8.6860 127.1506 61.0587 34.2519 174.2163 202 V 4.8733 9.2304 128.0583 61.0520 34.5205 174.0070 203 K 5.3284 9.3148 127.9669 54.7300 34.5308 175.3628 204 F 5.5576 8.8570 119.0002 55.9527 41.8464 173.2490 205 R 4.9957 9.1274 114.9579 54.5755 33.1110 174.0538 206 E 4.3034 9.0711 120.4620 57.1048 30.1782 177.4149 207 R 4.1394 8.6180 123.6782 56.6745 29.7485 176.0830 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 D 8.22 4.67 0.00 2.81 2.78 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 0.00 0.00 0.00 0.00 -1 K 7.93 3.86 0.00 1.88 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.60 7.81 0 L 8.06 4.09 0.00 1.69 1.70 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 1 H 8.07 4.14 0.00 3.22 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.27 4.20 0.00 4.13 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 3 Q 8.05 3.94 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 4 A 7.85 3.95 1.27 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 0.00 0.00 5 N 8.25 4.27 0.00 2.99 3.07 0.00 0.00 6.61 6.28 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 6 L 7.94 3.62 0.00 1.66 1.69 0.46 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 7 M 8.06 3.84 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 8 R 8.07 3.81 0.00 1.98 2.13 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 9 L 7.82 3.08 0.00 0.95 1.07 -0.88 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.56 2.93 0.00 1.50 1.54 0.00 1.42 0.00 0.00 1.40 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 0.90 7.81 11 S 7.44 4.04 0.00 3.91 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 12 D 8.24 4.47 0.00 2.72 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 13 L 7.38 4.21 0.00 0.96 1.38 0.53 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.51 4.66 0.00 3.04 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 Y 8.27 4.39 0.00 2.93 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 21 P 0.00 4.45 0.00 2.09 2.04 0.00 3.22 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 22 G 5.90 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 0.00 0.00 0.00 23 P 0.00 4.37 0.00 2.06 1.74 0.00 2.99 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.35 0.00 24 T 7.69 4.76 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 1.16 0.00 0.00 25 K 8.67 4.54 0.00 1.73 1.82 0.00 1.72 0.00 0.00 2.51 0.00 0.00 2.86 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.62 1.50 7.81 26 D 7.96 4.48 0.00 2.64 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 27 D 7.92 4.77 0.00 2.70 2.45 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 28 P 0.00 5.01 0.00 2.13 2.27 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 29 L 8.89 4.86 0.00 1.63 1.40 1.01 0.64 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 30 T 8.61 5.03 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 1.27 0.00 0.00 31 V 8.95 4.67 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 1.20 0.00 0.00 1.02 0.00 0.00 32 T 9.00 4.87 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 1.30 0.00 0.00 33 L 8.78 5.29 0.00 1.47 1.46 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.34 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 35 F 9.66 5.10 0.00 2.87 2.75 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4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 111 H 8.28 2.00 0.00 2.02 2.28 0.00 5.45 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 0.00 112 D 7.17 4.28 0.00 2.62 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 0.00 113 G 8.15 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 0.00 114 S 7.67 4.71 0.00 3.77 3.85 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 0.00 115 V 8.53 4.51 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 0.24 0.00 0.00 0.60 0.00 0.00 116 M 8.72 5.02 0.00 1.96 1.71 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 117 F 9.05 5.24 0.00 3.09 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 0.00 118 I 7.92 5.17 1.68 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 0.97 1.86 0.79 0.00 0.00 119 P 0.00 4.09 0.00 1.89 1.65 0.00 3.55 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.52 0.00 120 A 8.92 4.90 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 0.00 121 Q 8.56 4.80 0.00 1.13 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 122 R 8.89 4.96 0.00 1.82 1.76 0.00 3.03 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 123 L 9.12 5.09 0.00 2.08 1.88 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.79 5.59 0.00 3.85 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 0.00 125 F 8.90 5.40 0.00 3.23 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 0.00 126 M 8.76 4.50 0.00 1.92 2.12 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 2.78 2.48 0.00 127 C 8.70 4.56 0.00 2.27 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 0.00 128 D 8.77 4.97 0.00 2.63 2.56 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 0.00 0.00 0.00 0.00 129 P 0.00 4.59 0.00 2.26 2.30 0.00 3.85 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 130 T 7.95 4.00 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 0.00 131 G 9.19 4.04 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 0.00 0.00 0.00 132 V 7.82 3.46 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 1.07 0.00 0.00 1.00 0.00 0.00 133 D 7.94 4.97 0.00 2.81 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 7.88 4.75 0.00 3.96 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 0.00 135 E 8.72 4.03 0.00 1.94 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 2.28 2.29 0.00 136 E 8.09 3.91 0.00 2.06 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 2.25 2.34 0.00 137 G 7.53 3.61 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 0.00 138 A 7.91 4.59 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 0.00 139 T 8.16 5.17 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 1.25 0.00 0.00 140 C 9.52 5.34 0.00 3.17 3.24 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 0.00 141 A 8.65 5.42 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 0.00 142 V 8.63 4.33 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.27 0.00 0.00 143 K 8.46 4.83 0.00 1.71 1.63 0.00 1.76 0.00 0.00 2.01 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.52 7.81 144 F 8.50 4.77 0.00 2.92 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 0.00 145 G 8.08 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 0.00 0.00 0.00 0.00 146 S 8.98 5.06 0.00 4.16 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 W 9.51 4.54 0.00 3.44 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 0.00 148 V 8.19 4.21 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 0.94 0.00 0.00 0.64 0.00 0.00 149 Y 8.31 4.86 0.00 3.05 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 0.00 150 S 9.38 4.16 0.00 2.93 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 0.00 151 G 7.92 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 0.00 152 F 8.04 4.81 0.00 3.09 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 0.00 153 E 8.41 4.42 0.00 2.10 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 2.55 2.47 0.00 154 I 8.05 4.97 1.98 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 1.01 1.24 1.00 0.00 0.00 155 D 9.09 5.01 0.00 2.76 2.56 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 0.00 0.00 0.00 0.00 156 L 8.45 5.37 0.00 1.61 1.61 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 157 K 9.12 4.86 0.00 1.82 1.64 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.37 7.81 158 T 8.47 5.12 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 159 D 8.79 4.58 0.00 2.70 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 0.00 160 T 7.41 4.63 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 0.00 161 D 8.58 5.53 0.00 2.84 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 Q 8.08 4.73 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 163 V 8.29 3.73 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 0.74 0.00 0.00 0.94 0.00 0.00 164 D 9.14 4.49 0.00 2.75 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 0.00 165 L 8.49 4.62 0.00 1.73 1.64 0.84 0.75 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 0.00 166 S 8.78 4.27 0.00 3.99 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 0.00 167 S 7.88 4.75 0.00 3.88 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 0.00 168 Y 7.81 4.39 0.00 3.03 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 8.31 4.19 0.00 2.77 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 0.00 170 A 8.61 4.10 1.24 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 0.00 0.00 0.00 171 S 5.94 4.41 0.00 3.21 3.61 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 0.00 172 S 6.90 4.37 0.00 3.99 4.04 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 0.00 173 K 8.73 4.01 0.00 1.34 1.17 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.51 1.36 7.81 174 Y 8.13 5.38 0.00 3.10 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 0.00 175 E 9.38 4.75 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 176 I 7.92 4.60 1.55 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 -0.00 -0.01 0.81 0.00 0.00 177 L 9.05 4.46 0.00 1.58 1.71 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 178 S 7.78 4.67 0.00 3.82 3.89 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 0.00 179 A 8.20 5.15 1.16 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 0.00 0.00 180 T 8.97 5.19 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 1.20 0.00 0.00 181 Q 8.99 4.81 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 182 T 8.81 4.82 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 0.00 183 R 8.80 4.57 0.00 1.87 1.87 0.00 3.29 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 184 Q 9.24 4.73 0.00 2.34 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 185 V 8.48 5.02 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 0.79 0.00 0.00 0.95 0.00 0.00 186 Q 9.33 4.63 0.00 1.75 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 187 H 8.48 5.16 0.00 2.88 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 8.33 4.66 0.00 2.94 2.78 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 0.00 0.00 0.00 0.00 189 S 8.78 4.18 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 0.00 190 C 8.27 4.39 0.00 3.07 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 0.00 191 C 7.78 5.15 0.00 3.14 3.50 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 0.00 192 P 0.00 4.27 0.00 2.28 2.24 0.00 3.85 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 2.09 2.03 0.00 193 E 7.96 3.77 0.00 1.18 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 1.88 1.86 0.00 194 P 0.00 4.28 0.00 1.87 1.92 0.00 2.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 195 Y 9.24 4.87 0.00 3.22 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 0.00 196 I 8.57 5.31 1.95 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 1.40 0.90 1.07 0.00 0.00 197 D 9.13 5.05 0.00 2.84 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 V 9.04 4.72 2.26 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 1.14 0.00 0.00 1.03 0.00 0.00 199 N 9.12 4.88 0.00 2.87 2.68 0.00 0.00 6.34 6.20 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 0.00 200 L 8.77 4.70 0.00 1.31 1.49 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 201 V 8.69 4.75 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.92 0.00 0.00 202 V 9.23 4.87 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 0.92 0.00 0.00 0.84 0.00 0.00 203 K 9.31 5.33 0.00 1.70 1.69 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.37 7.81 204 F 8.86 5.56 0.00 3.30 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 0.00 205 R 9.13 5.00 0.00 2.05 1.98 0.00 2.90 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 206 E 9.07 4.30 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 2.41 2.61 0.00 207 R 8.62 4.14 0.00 1.87 1.75 0.00 3.27 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.