NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.2758 8.1844 120.6293 54.1945 43.1083 175.5157 7 V 3.5912 8.1137 120.0318 61.7388 31.9611 173.3393 8 P 4.6271 0.0000 0.0000 62.8226 33.7746 174.6042 9 T 5.1516 8.3290 117.0516 61.8529 71.6813 173.8839 10 V 4.4566 8.9029 124.8226 61.2404 34.4975 174.2828 11 I 4.6121 8.4026 127.9250 60.0096 38.4418 175.3907 12 E 4.3475 8.2124 122.4763 56.4075 31.8675 176.1387 *18 E 3.8938 8.0422 116.8793 56.2272 31.0014 175.9865 19 R 4.3604 8.1934 123.7710 54.0578 32.0729 174.1151 20 A 4.6306 8.1967 126.0776 51.1158 19.3269 176.3328 21 F 5.2337 8.3575 117.6694 54.4997 41.8174 174.8750 22 D 4.9655 8.8071 119.2585 53.0821 40.3134 176.8607 23 I 3.5711 8.4306 120.7190 65.0257 37.8806 177.8634 24 Y 4.2558 7.8322 116.5011 61.1061 37.4851 178.5111 25 S 4.1734 8.5807 115.9792 61.1939 63.2566 176.2795 26 R 3.5808 7.9138 121.5137 59.4057 29.9297 178.7167 27 L 4.1294 8.1704 118.5925 57.4218 41.5712 179.1945 28 L 4.3654 7.7481 121.5510 57.3304 41.7892 178.7486 29 K 4.3864 7.6891 116.7085 58.0176 31.3890 177.8591 30 E 4.6169 7.9844 118.5376 55.4084 29.8612 176.1842 31 R 3.8463 8.4100 117.3110 57.4321 28.0589 175.2493 32 I 4.9774 7.2399 115.7169 59.9401 39.0970 175.1434 33 V 4.6310 9.2264 127.0347 61.0297 34.6407 173.9487 34 F 5.5311 9.0787 125.3997 55.7789 41.3871 174.4222 35 L 4.7561 9.3662 126.6070 53.7018 43.5927 174.6128 36 N 5.1914 8.7812 124.7909 53.5518 41.5055 174.6675 37 G 3.8483 9.0437 115.8651 43.9984 0.0000 172.1507 38 E 4.3543 8.3640 116.5799 56.3109 30.6621 176.9509 39 V 4.0551 8.8245 123.4726 62.8658 32.7205 174.6864 40 N 5.1683 9.0267 124.7923 50.8723 41.2012 175.0259 41 D 4.3547 8.9896 117.5572 57.9020 40.8660 178.4402 42 H 4.1233 8.2758 118.2090 59.3957 30.0867 177.3144 43 S 4.0847 9.0101 116.2274 61.3134 62.9536 176.1442 44 A 4.0248 8.3036 124.8004 54.8501 18.1593 179.1278 45 N 4.2385 8.0916 115.3763 56.8073 39.0189 176.9546 46 L 3.9494 7.7312 120.1539 57.8585 41.6035 179.7140 47 V 3.5090 7.6453 117.5511 66.0314 31.3604 178.2058 48 I 3.6211 7.7716 119.2933 64.1383 36.8529 178.1796 49 A 3.9885 8.4991 121.9244 55.3275 18.2594 179.5557 50 Q 4.0256 8.1562 116.4719 59.1771 28.8409 179.1613 51 L 3.8946 8.0448 119.9641 57.9233 41.7165 179.5836 52 L 4.0229 8.2122 119.0526 57.7535 41.5542 179.4078 53 F 4.1766 8.6116 120.8160 61.4454 39.3562 177.2230 54 L 3.7062 8.4875 118.9521 57.4571 41.1146 179.1492 55 E 3.7978 7.9329 118.4907 59.3536 29.7045 178.5036 56 S 4.1545 7.6218 111.7242 61.3230 62.4687 175.6558 57 E 4.1419 7.5982 120.3780 58.0188 28.9165 177.1071 58 D 4.3380 7.9030 120.7868 52.5103 43.0777 173.8201 59 P 4.3483 0.0000 0.0000 65.4349 31.6872 177.3733 60 D 4.4916 8.3710 118.3670 56.2422 41.3391 177.3757 61 K 4.1943 7.3958 114.8336 55.9932 32.4631 177.4741 62 D 4.5714 8.6943 123.8717 54.8639 41.8225 175.7664 63 I 4.2163 8.0460 120.5022 59.5811 41.2040 174.2740 64 Y 4.9495 8.7118 123.8922 56.4573 40.2020 174.7519 65 F 5.5044 9.3862 128.9819 56.8415 40.8407 173.6470 66 Y 4.8638 9.0019 125.1667 57.2882 39.5366 174.8321 67 I 4.8085 9.0565 124.7569 59.5754 40.7115 174.2780 68 N 5.3676 9.4553 125.7836 52.3011 41.3221 172.3745 69 S 5.0948 9.4206 120.4293 56.2815 66.2474 172.5880 70 P 4.4802 0.0000 0.0000 63.0979 32.1987 176.9726 71 G 3.9302 7.1757 106.4276 47.4727 0.0000 174.2842 72 G 5.3646 8.3834 118.5593 47.0653 0.0000 173.7702 *74 V 4.1454 7.3243 119.9955 63.0854 33.2280 177.2037 75 T 3.6884 8.1670 107.7461 64.7713 68.3736 174.9901 76 A 4.1505 8.3198 125.1936 54.8459 18.6679 181.4900 77 G 3.6073 7.6100 104.8687 45.5609 0.0000 175.8848 *79 G 3.8768 8.2783 110.4666 45.2312 0.0000 176.2402 80 V 3.5715 7.5732 117.5279 65.8658 31.5662 177.0557 81 Y 4.2632 7.9629 117.9119 61.0309 38.9245 177.6573 82 D 4.5133 8.2360 119.1917 57.3789 41.0310 179.5152 83 T 4.3439 7.9359 115.8305 63.7898 68.2511 176.2967 *85 Q 4.1850 8.1086 121.5097 55.7555 30.9574 176.7971 86 F 4.3327 7.9717 119.2233 60.4914 39.7046 176.2330 87 I 3.8651 7.4887 112.4867 60.3275 38.0318 175.9483 88 K 3.9019 8.9773 124.6460 59.0201 32.1544 175.8871 89 P 4.4353 0.0000 0.0000 62.5516 32.2661 175.4958 90 D 4.3795 8.6051 121.9571 54.5767 42.1955 175.2844 91 V 4.4607 8.3203 123.5851 61.3879 33.1521 174.3611 92 S 4.9863 9.0337 124.7637 57.8405 63.9531 172.7467 93 T 5.1444 8.5662 115.9636 60.0143 71.7498 173.1183 94 I 5.0077 8.6240 124.8288 59.7547 41.1470 173.8761 95 C 4.8557 9.3058 129.3604 58.5703 32.6275 172.9140 96 I 4.6719 8.9788 119.7784 56.8722 35.6923 172.5403 97 G 3.7877 8.0933 119.3656 45.0670 0.0000 170.5110 98 L 5.2927 8.5485 119.4022 52.5673 46.7256 175.4193 99 A 5.0648 9.2865 126.3305 50.3531 21.4327 174.5808 100 A 4.5993 8.6425 122.2347 51.7652 22.8705 177.0488 101 S 3.4525 8.6326 116.2294 59.9939 62.7862 174.5957 *103 G 3.8980 7.8660 106.8857 45.5014 0.0000 175.0153 104 S 4.1113 7.7709 115.6134 60.8009 62.9709 176.2711 105 L 3.9112 7.8139 123.5382 57.8804 41.6620 178.8741 106 L 4.1065 7.7787 117.4339 57.6494 42.0296 178.3629 107 L 3.9740 7.9351 120.1210 58.5778 41.7637 179.1162 108 A 4.7584 7.5992 120.0180 53.6868 18.3795 178.6806 109 G 3.9271 7.5444 102.3989 44.1097 0.0000 173.7625 110 G 4.0200 7.5824 108.5275 45.3346 0.0000 173.5439 111 A 4.2225 8.8165 122.1220 51.5132 19.4102 177.1394 112 K 3.7496 8.7697 122.6158 58.3549 32.2041 177.1569 113 G 3.9722 9.2527 114.4397 45.7802 0.0000 173.4440 114 K 4.5065 8.1939 119.4949 56.0367 34.0553 175.5398 115 R 4.8464 7.9274 120.1920 55.0295 31.7075 175.2783 116 Y 5.3339 9.4686 122.3766 56.2646 42.1038 174.8414 117 S 5.1748 8.7374 114.7816 56.6025 66.6939 173.4285 118 L 4.8019 8.6468 124.7456 53.8114 42.3945 176.6348 119 P 4.2965 0.0000 0.0000 65.3865 31.4240 177.7435 120 S 4.6351 7.8739 111.4282 58.3112 63.2289 174.3454 121 S 4.6289 7.8049 117.0434 58.8599 63.4499 173.6282 122 Q 4.8569 9.1235 121.3268 54.4078 31.5657 174.8425 123 I 5.5902 8.3815 121.8789 58.2642 41.7234 174.4436 *125 I 3.9334 8.0819 115.8754 61.4164 39.1568 174.0024 126 H 4.7937 8.0239 117.5377 55.3458 30.5350 173.1514 127 Q 4.3899 8.3811 117.5643 54.7004 29.6862 174.3345 128 P 4.4422 0.0000 0.0000 62.4171 32.0416 176.0592 129 L 4.9302 7.6892 119.9010 53.2609 45.5796 176.6051 130 G 3.9711 7.9862 113.4476 45.8961 0.0000 174.6136 131 G 4.0700 8.9328 112.5643 43.7014 0.0000 172.3756 132 F 4.9673 8.6299 124.8444 56.1001 41.7517 174.6895 133 R 4.4333 8.2196 123.8378 52.7928 32.8660 177.0834 134 G 3.8237 7.9818 108.8503 45.3546 0.0000 172.5230 135 Q 4.1606 8.2011 121.0136 55.5602 30.8149 176.6721 136 A 4.0273 8.6768 125.0317 55.7419 18.3543 180.2781 137 S 4.0980 8.1553 112.8158 62.1193 62.8623 176.7474 138 D 4.3704 8.1142 120.7903 57.2324 40.6755 178.4085 139 I 3.8384 8.2725 120.9002 64.5528 37.0945 177.7384 140 E 3.9193 8.6027 120.1167 59.5335 29.4687 178.8134 141 I 3.6693 7.8572 119.5645 64.9823 37.1291 178.2702 142 H 4.1271 8.6215 116.8551 58.4156 28.4646 177.7673 143 A 3.9969 8.5047 123.1931 55.1018 18.2621 179.7163 144 K 3.8386 8.2983 117.2965 59.5833 32.1132 178.8789 145 N 4.1929 8.0585 117.1294 56.9531 38.8324 176.7625 146 I 3.6837 8.0161 119.8353 63.8670 37.9826 177.8557 147 L 3.9853 7.9508 120.2494 57.6067 41.4403 179.4951 148 R 3.9187 7.9967 118.0724 59.3837 29.9595 179.1616 149 I 3.7126 7.9061 119.6224 64.0822 37.0631 178.2966 150 K 3.8436 8.2481 120.6763 59.5952 32.0552 178.3034 151 D 4.2685 8.1085 118.1256 57.2194 41.0997 177.8833 152 R 3.8499 8.4154 119.5285 59.5836 30.0539 178.1899 153 L 3.8801 8.0267 118.6550 58.0294 41.5899 179.2851 154 N 4.3193 8.1294 116.1120 56.4716 38.5144 177.6358 155 K 3.9713 8.0752 119.7125 59.3011 32.1107 179.6487 156 V 3.6203 8.0024 118.7872 65.9099 31.4641 178.1345 157 L 4.0136 7.9759 118.5411 57.7309 41.4908 179.0772 158 A 4.0608 8.1905 120.8889 55.7678 18.0438 179.2401 159 H 4.0862 8.1228 115.2758 59.4907 29.9971 176.6514 160 H 4.4750 7.9295 116.5823 57.9454 28.9715 177.1828 161 T 4.6479 7.9238 112.3925 61.4036 69.0740 176.1529 162 G 3.8416 7.8845 108.4717 45.4557 0.0000 173.6751 163 Q 4.0990 7.6008 118.4954 55.1141 29.5893 176.2474 164 D 4.6237 8.1791 119.9559 52.6070 41.8250 177.1556 165 L 3.8791 8.3617 122.2638 58.6698 42.1416 178.8998 166 E 3.9494 8.1200 117.8438 60.0253 29.4089 179.7591 167 T 3.8939 7.8329 114.8263 66.6264 68.6532 176.4772 168 I 3.7840 7.7322 121.7115 64.4343 37.2111 178.4821 169 V 3.5464 8.0468 119.1669 66.0500 31.1525 177.7325 170 K 3.8934 7.9233 117.7552 59.7002 32.0957 177.7185 171 D 4.6375 7.9558 116.6069 55.3862 41.2687 177.5470 172 T 4.4326 7.5847 109.5713 61.4243 69.0688 175.4044 173 D 4.3865 7.5994 121.2627 56.3340 41.3979 176.0169 174 R 4.7180 6.9907 114.8604 53.5391 34.2224 174.1839 175 D 4.3778 8.6335 118.4067 55.4906 41.3537 176.3014 176 N 4.7268 8.3253 120.9411 51.9429 40.9288 173.6696 177 F 4.4832 8.7160 124.4629 56.5793 40.5823 176.0188 *180 A 4.4332 8.5035 122.9396 52.3759 20.5009 179.0342 181 D 4.3821 8.0216 115.4798 56.7829 39.4375 178.5354 182 E 4.0489 8.2131 119.2736 58.8329 29.4961 178.9796 183 A 4.0427 7.8705 120.6527 55.0091 18.4789 179.3993 184 K 4.3049 8.5935 119.4344 59.1688 32.0491 178.9689 185 A 4.0514 7.9119 120.2109 55.1429 18.4141 178.6220 186 Y 4.2014 8.1072 116.8364 58.9867 39.3136 176.6340 187 G 3.9675 7.9155 107.8158 45.3484 0.0000 175.2729 188 L 4.1197 8.2087 121.3246 56.7992 41.9095 176.7633 189 I 4.9989 7.3698 110.0533 59.3738 40.9121 174.8719 190 D 4.4663 8.6610 119.9503 55.6968 42.2908 177.3138 191 H 4.9718 7.5407 113.6486 53.9070 33.3830 172.6354 192 V 4.8854 8.5584 122.2802 61.5048 32.6620 174.7919 193 I 4.6083 8.4048 121.3622 59.4417 38.9922 175.2948 194 E 4.5332 9.0110 124.4371 57.1873 31.1402 176.1167 195 S 4.6741 7.4708 110.2962 56.6970 65.8279 174.1155 196 R 4.0225 8.5144 122.1350 59.3821 30.2772 177.7723 197 E 4.0258 8.2385 116.2975 59.1537 29.7658 176.5492 198 A 4.1631 7.5662 125.0198 52.3923 18.3343 176.9133 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 6 L 8.18 4.28 0.00 1.66 1.71 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.11 3.59 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 0.80 0.00 0.00 1.05 0.00 0.00 8 P 0.00 4.63 0.00 2.06 1.92 0.00 3.47 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 9 T 8.33 5.15 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 1.20 0.00 0.00 10 V 8.90 4.46 2.28 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 1.06 0.00 0.00 0.99 0.00 0.00 11 I 8.40 4.61 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.84 0.00 0.00 12 E 8.21 4.35 0.00 1.84 1.93 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 2.04 2.30 0.00 *18 E 8.04 3.89 0.00 1.83 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 2.17 2.32 0.00 19 R 8.19 4.36 0.00 1.46 1.59 0.00 3.11 0.00 0.00 3.34 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 20 A 8.20 4.63 1.14 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 21 F 8.36 5.23 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 22 D 8.81 4.97 0.00 3.00 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 23 I 8.43 3.57 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.98 0.24 0.00 0.00 24 Y 7.83 4.26 0.00 3.27 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 25 S 8.58 4.17 0.00 3.97 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 26 R 7.91 3.58 0.00 1.98 2.12 0.00 3.10 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 27 L 8.17 4.13 0.00 1.96 1.87 1.10 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.75 4.37 0.00 2.06 1.90 1.03 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.69 4.39 0.00 1.80 1.84 0.00 1.65 0.00 0.00 1.10 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.38 7.81 30 E 7.98 4.62 0.00 2.20 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 2.26 2.33 0.00 31 R 8.41 3.85 0.00 2.11 2.02 0.00 3.09 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 32 I 7.24 4.98 2.19 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.81 0.00 0.00 33 V 9.23 4.63 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 1.00 0.00 0.00 0.90 0.00 0.00 34 F 9.08 5.53 0.00 2.95 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 35 L 9.37 4.76 0.00 2.17 1.62 1.02 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.78 5.19 0.00 2.75 2.62 0.00 0.00 7.42 7.98 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 37 G 9.04 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 0.00 0.00 0.00 38 E 8.36 4.35 0.00 2.10 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 2.30 2.34 0.00 39 V 8.82 4.06 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 0.99 0.00 0.00 0.98 0.00 0.00 40 N 9.03 5.17 0.00 2.86 3.04 0.00 0.00 6.54 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.99 4.35 0.00 2.73 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 42 H 8.28 4.12 0.00 3.24 3.47 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.01 4.08 0.00 4.07 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 0.00 44 A 8.30 4.02 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.09 4.24 0.00 3.05 2.79 0.00 0.00 7.25 6.59 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 46 L 7.73 3.95 0.00 1.84 1.66 0.75 0.66 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 47 V 7.65 3.51 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 0.74 0.00 0.00 1.07 0.00 0.00 48 I 7.77 3.62 2.00 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 1.43 0.65 0.89 0.00 0.00 49 A 8.50 3.99 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 50 Q 8.16 4.03 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 51 L 8.04 3.89 0.00 1.77 1.65 0.73 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.21 4.02 0.00 1.88 1.77 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.61 4.18 0.00 3.09 3.26 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 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0.00 0.00 1.02 0.00 0.00 81 Y 7.96 4.26 0.00 3.04 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 82 D 8.24 4.51 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.94 4.34 4.35 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 1.22 0.00 0.00 *85 Q 8.11 4.18 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 86 F 7.97 4.33 0.00 3.01 3.21 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 87 I 7.49 3.87 1.90 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 1.29 0.80 1.05 0.00 0.00 88 K 8.98 3.90 0.00 1.59 1.86 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.29 7.81 89 P 0.00 4.44 0.00 2.01 2.11 0.00 3.65 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 1.90 1.91 0.00 90 D 8.61 4.38 0.00 2.83 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 91 V 8.32 4.46 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 1.09 0.00 0.00 0.85 0.00 0.00 92 S 9.03 4.99 0.00 3.97 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 93 T 8.57 5.14 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 1.26 0.00 0.00 94 I 8.62 5.01 1.31 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.45 0.94 0.00 0.00 95 C 9.31 4.86 0.00 2.98 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 96 I 8.98 4.67 1.99 0.00 0.00 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 1.46 1.15 1.15 0.00 0.00 97 G 8.09 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 98 L 8.55 5.29 0.00 1.76 1.48 1.07 1.46 0.00 0.00 0.00 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7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 134 G 7.98 3.82 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 0.00 0.00 0.00 135 Q 8.20 4.16 0.00 2.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 136 A 8.68 4.03 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 0.00 137 S 8.16 4.10 0.00 3.91 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 0.00 138 D 8.11 4.37 0.00 2.97 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 0.00 139 I 8.27 3.84 2.10 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 1.50 0.91 0.96 0.00 0.00 140 E 8.60 3.92 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 141 I 7.86 3.67 1.97 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 1.49 0.56 0.80 0.00 0.00 142 H 8.62 4.13 0.00 3.32 3.38 0.00 5.82 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 0.00 143 A 8.50 4.00 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 0.00 144 K 8.30 3.84 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.54 7.81 145 N 8.06 4.19 0.00 2.73 2.90 0.00 0.00 6.91 7.84 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 0.00 146 I 8.02 3.68 1.96 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 1.52 1.42 0.97 0.00 0.00 147 L 7.95 3.99 0.00 1.92 1.69 0.92 0.91 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 0.00 148 R 8.00 3.92 0.00 1.98 1.96 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 149 I 7.91 3.71 2.00 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 1.39 0.81 0.89 0.00 0.00 150 K 8.25 3.84 0.00 1.91 1.99 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 151 D 8.11 4.27 0.00 2.84 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 0.00 152 R 8.42 3.85 0.00 1.95 2.03 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 153 L 8.03 3.88 0.00 1.82 1.67 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.13 4.32 0.00 2.94 2.88 0.00 0.00 7.09 7.94 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 0.00 155 K 8.08 3.97 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.46 1.62 7.81 156 V 8.00 3.62 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 0.79 0.00 0.00 0.81 0.00 0.00 157 L 7.98 4.01 0.00 1.94 1.77 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.19 4.06 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 0.00 159 H 8.12 4.09 0.00 3.14 3.52 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 H 7.93 4.47 0.00 3.24 3.52 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.92 4.65 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 162 G 7.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 7.60 4.10 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.90 0.00 0.00 0.00 0.00 0.00 1.97 1.52 0.00 164 D 8.18 4.62 0.00 2.88 2.75 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 0.00 165 L 8.36 3.88 0.00 1.77 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.12 3.95 0.00 2.08 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 2.34 2.50 0.00 167 T 7.83 3.89 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 168 I 7.73 3.78 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.30 0.99 0.00 0.00 169 V 8.05 3.55 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 1.00 0.00 0.00 1.07 0.00 0.00 170 K 7.92 3.89 0.00 1.87 2.04 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.56 7.81 171 D 7.96 4.64 0.00 2.87 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 0.00 172 T 7.58 4.43 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 1.21 0.00 0.00 173 D 7.60 4.39 0.00 2.81 2.75 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 0.00 174 R 6.99 4.72 0.00 1.77 1.76 0.00 3.30 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 175 D 8.63 4.38 0.00 2.52 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 0.00 0.00 0.00 0.00 176 N 8.33 4.73 0.00 2.81 2.56 0.00 0.00 7.20 7.18 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 0.00 177 F 8.72 4.48 0.00 2.98 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 *180 A 8.50 4.43 1.36 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 0.00 0.00 181 D 8.02 4.38 0.00 2.90 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 0.00 182 E 8.21 4.05 0.00 2.05 2.06 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 0.00 2.42 2.40 0.00 183 A 7.87 4.04 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 0.00 184 K 8.59 4.30 0.00 1.84 2.00 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.42 7.81 185 A 7.91 4.05 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 0.00 186 Y 8.11 4.20 0.00 3.12 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 0.00 187 G 7.92 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 0.00 0.00 0.00 188 L 8.21 4.12 0.00 1.93 1.77 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.37 5.00 2.00 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 1.46 1.05 0.91 0.00 0.00 190 D 8.66 4.47 0.00 2.11 2.35 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 0.00 191 H 7.54 4.97 0.00 3.10 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.56 4.89 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 0.90 0.00 0.00 0.97 0.00 0.00 193 I 8.40 4.61 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 1.05 0.00 0.00 194 E 9.01 4.53 0.00 1.98 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 2.26 2.29 0.00 195 S 7.47 4.67 0.00 3.92 3.78 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 0.00 196 R 8.51 4.02 0.00 1.77 1.97 0.00 3.20 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 197 E 8.24 4.03 0.00 1.99 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 2.31 2.30 0.00 198 A 7.57 4.16 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 * Residues marked with a * may have inaccurate shift predictions.