NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5486 8.3349 115.2928 58.3344 63.3955 173.3799 3 L 4.1697 8.9197 125.7595 54.5649 41.8781 174.8185 4 I 4.5399 8.6724 121.8154 59.6560 40.2850 175.0567 5 E 4.5756 8.7253 127.1535 54.4750 32.4584 175.0631 6 I 4.5082 8.3403 126.0839 60.8214 37.6398 175.9853 7 R 4.3858 9.0992 128.7581 58.3037 30.9475 176.3096 8 K 4.7019 7.5916 115.3567 55.9946 35.7804 174.7466 9 R 5.2765 8.4815 119.2303 54.7540 34.2695 174.7471 10 T 4.7574 8.8310 110.9150 59.8488 72.5182 172.3619 11 L 5.2178 8.5698 124.9013 53.4302 44.8819 175.3109 12 I 4.6227 9.0293 127.0225 59.4150 40.5848 174.6006 13 V 4.7214 8.4698 125.9174 61.0824 34.0287 173.9215 14 E 4.5751 9.7200 130.2905 54.8495 31.6154 174.4382 15 T 4.7976 8.4710 124.0391 62.2303 70.5121 174.0132 16 T 4.3283 8.6030 124.2157 62.2350 70.0851 174.9438 17 Y 4.3619 8.6238 124.6043 60.4083 39.1776 174.9694 18 H 4.6515 7.6732 111.5138 55.2844 31.3216 172.5240 19 E 4.6343 8.3272 117.9812 55.6483 29.2810 175.0962 20 N 4.3969 9.0414 112.1667 53.7253 36.4837 174.6363 21 G 3.9810 7.5937 107.6357 42.6840 0.0000 171.0823 22 P 4.2195 0.0000 0.0000 62.2092 31.4914 176.5198 23 A 4.2417 8.5278 127.2585 51.2835 18.9588 175.3423 24 P 4.5219 0.0000 0.0000 61.9751 32.4099 176.3417 25 A 4.1581 8.6813 122.1872 54.6220 18.4224 178.2486 26 Q 4.6850 7.6851 113.0184 53.0855 31.6899 173.6790 27 P 4.5173 0.0000 0.0000 62.6391 32.5635 175.2743 28 L 4.4195 8.3530 122.8261 54.2455 43.9280 175.3612 29 K 5.0957 8.6935 124.3350 54.5489 35.4323 174.9881 30 L 5.2102 9.0069 124.4514 52.8223 45.2254 175.4589 31 A 5.3061 8.6089 123.3878 50.2221 22.9904 174.4228 32 A 5.1703 9.2333 122.3226 50.0959 22.8001 175.0235 33 S 5.1281 9.1215 116.0952 56.7456 65.2518 172.6550 34 C 5.5145 9.4093 124.4246 57.9194 32.1764 172.9284 35 A 5.0807 8.9989 123.0185 50.2660 22.3503 174.9995 36 V 4.6347 8.9940 123.3285 61.2930 33.3185 174.8465 37 I 5.1438 8.7775 121.0067 58.5565 41.4276 174.6689 38 R 4.1822 8.3352 123.8081 56.4907 30.7655 175.7015 39 N 4.6227 9.1667 125.8833 51.9866 39.0772 173.9292 40 P 3.9950 0.0000 0.0000 64.3467 31.5354 176.9084 41 Y 4.4819 7.8246 115.0733 57.0302 38.6766 175.3315 42 A 3.9991 7.3417 124.3274 53.8356 18.7250 178.4926 43 G 4.0108 10.5305 111.1306 45.2992 0.0000 173.1400 44 R 4.5868 7.4676 114.2132 54.8866 32.4195 173.9698 45 Y 4.2774 8.5217 120.4118 56.5418 38.8802 174.2241 46 E 4.3618 7.9420 128.7284 53.6491 30.7189 173.8825 47 P 3.9324 0.0000 0.0000 64.3713 31.6476 175.7041 48 D 4.6263 8.3294 118.0999 52.5992 41.1718 175.7571 49 L 4.1121 7.6702 129.6367 52.4212 40.6888 175.3795 *51 P 4.3609 0.0000 0.0000 62.4952 33.8761 179.5453 52 F 4.6549 7.8203 115.8280 59.0724 38.8413 176.3680 *54 A 4.1629 8.1338 123.3396 51.7036 20.3014 179.5701 55 E 3.9876 8.2408 116.0506 59.2202 29.6294 178.8504 56 L 3.9712 7.9201 118.9246 57.1358 41.4106 179.0666 57 R 3.9977 7.5127 120.3828 58.9397 29.8674 178.5573 58 S 4.0996 8.1284 114.8062 61.4050 62.7874 176.4339 59 L 4.1594 7.8811 122.8796 57.8713 41.8632 178.9812 60 G 3.5232 8.1230 105.8147 48.1481 0.0000 175.6927 61 T 3.8480 8.0947 118.7197 66.0654 68.4343 176.3168 62 L 3.9567 7.8769 122.0263 58.3437 42.1709 179.1389 63 L 4.0433 8.1518 118.5507 57.7518 41.5979 179.4379 64 A 4.0478 8.3253 120.9354 55.4301 18.2801 179.7471 65 T 3.8291 8.2018 114.5197 66.7308 68.4379 176.3321 66 E 3.9398 8.2153 121.1559 59.2977 29.5845 178.8820 67 L 3.9875 7.9699 118.9430 57.9004 41.6367 179.7296 68 V 3.5987 7.9535 118.1295 66.1420 31.2336 177.8364 69 D 4.3567 8.1320 117.8261 57.4930 40.6637 178.6920 70 T 4.0535 7.9470 115.8349 66.3994 68.6486 176.2907 71 L 4.3883 8.1042 118.9612 53.6558 42.7154 177.5706 72 G 3.8939 8.3249 110.4310 46.2678 0.0000 175.1099 73 K 3.9359 8.6357 125.4485 57.8172 31.7595 174.7245 74 D 4.6383 8.0269 115.9068 55.5000 41.2667 176.3940 75 N 4.7953 8.1771 116.5428 52.8325 39.1616 174.1314 76 I 4.6344 7.5208 120.3653 60.7168 37.7711 175.1417 77 E 4.7576 9.6230 123.8282 56.1616 32.5432 176.1867 78 V 5.1087 7.9439 110.3739 58.9648 35.8803 173.9876 79 Y 5.1883 8.2572 119.3416 56.7871 41.7582 172.7773 80 S 4.7594 8.9500 113.7445 57.8436 66.8820 173.2871 81 K 5.3651 8.7630 120.1591 55.7164 36.0569 175.0255 82 A 5.8466 9.7162 121.7971 51.5893 23.4724 174.9673 83 A 4.8884 8.4802 119.5618 50.4721 23.2854 175.2971 84 I 4.8758 8.6879 122.3621 59.5134 40.6655 174.7157 85 V 4.3128 8.7884 128.0404 61.0170 33.5672 175.7670 86 G 4.0580 8.7633 114.7824 45.9715 0.0000 175.0326 87 V 3.8223 8.3775 113.1736 63.6198 31.8171 177.2083 88 D 4.5858 8.2753 119.0637 54.6482 41.2560 176.4367 89 G 4.7549 7.7275 109.4631 44.2009 0.0000 172.7512 90 E 4.5391 7.6414 120.0407 55.9722 29.1725 178.4807 *92 E 4.3233 8.9346 118.4436 56.2468 31.0312 176.8551 93 H 4.7713 8.1655 115.3849 58.3588 28.9330 177.2421 94 G 3.9520 8.1832 106.7710 46.9284 0.0000 175.6408 95 A 4.2579 7.7649 121.4637 54.9611 18.3684 179.9020 96 V 3.6350 8.0514 110.5928 64.0248 31.4790 177.7972 97 W 4.2767 8.4497 127.5350 59.4243 30.3852 177.6560 98 H 3.9778 7.9280 116.1905 59.0801 28.1011 177.1535 99 E 3.0203 7.7097 119.9651 58.8807 29.0492 178.3411 100 A 3.6770 7.3842 120.7993 54.7912 17.3311 179.8554 101 G 2.0000 6.8315 104.3048 46.8456 0.0000 176.3626 102 G 3.3918 6.8312 107.2380 47.3051 0.0000 175.5516 103 W 4.4169 8.3127 122.2637 59.0245 28.9867 178.8540 104 A 4.0240 7.1082 114.7279 53.2198 17.4862 179.0846 *106 R 4.3979 8.0150 120.0192 57.7626 32.4206 178.3824 107 S 4.5065 8.1757 113.3086 61.0736 63.0458 176.7238 108 V 3.5770 7.7459 118.9905 65.8330 31.2252 176.5549 109 L 4.2969 7.9167 116.3704 54.5916 41.6480 176.6783 110 G 3.6785 7.8915 106.7087 46.5078 0.0000 173.5861 111 E 3.6657 8.6878 114.7369 56.1218 26.7696 173.0191 112 P 4.5084 0.0000 0.0000 63.0664 32.0230 176.8477 113 K 4.2989 8.4738 117.8988 57.3127 33.2663 177.0491 114 A 5.0277 7.9254 129.6079 51.6509 19.7930 179.3703 *116 V 3.6970 8.3785 118.0024 63.9595 32.3435 173.1234 117 P 4.7498 0.0000 0.0000 63.0734 33.0483 174.4554 118 A 5.6768 8.4941 119.8201 52.3429 22.1193 175.8193 119 V 4.7403 8.2102 117.4727 60.7381 34.8652 173.2966 120 K 5.5928 8.7274 119.3996 56.9005 35.6360 174.2249 121 A 4.5497 8.3200 120.6441 51.1971 22.7807 174.9462 122 V 4.6615 8.0588 119.0348 61.3659 33.0100 174.7492 123 A 4.4775 8.7468 128.8383 51.0520 22.9560 175.5862 124 T 4.1226 8.2668 108.8130 60.5432 69.9843 174.1878 125 A 4.3183 7.6883 124.8819 53.4164 18.6802 178.3219 126 G 3.9862 9.0464 111.4081 44.7772 0.0000 173.3978 127 Y 4.1111 7.5936 120.8564 57.7836 39.2643 175.4734 128 R 4.8708 7.2199 124.0109 53.3123 33.2984 175.4716 *131 V 4.0058 8.0052 118.9864 62.2517 32.7716 172.5686 132 P 5.1757 0.0000 0.0000 62.6154 32.6737 175.8637 133 V 4.9995 9.3259 115.6643 59.1705 35.8477 174.0803 134 H 5.4825 8.4434 116.9790 54.0754 33.0275 171.4015 135 Y 4.8739 8.5295 119.9166 57.5636 39.2088 176.8557 136 I 3.1795 8.1061 120.1087 63.1075 37.8065 177.1357 137 H 4.3866 6.0775 115.4902 55.7166 29.8438 174.6312 138 A 4.3486 7.3212 117.8746 51.3284 20.9660 176.9637 139 S 4.0178 8.8609 119.4396 62.2656 62.9876 176.0421 140 Y 4.3139 8.0282 116.4082 58.5209 38.1213 175.5262 141 V 4.0369 7.6060 120.3579 62.2547 31.3218 176.3848 142 R 3.7860 8.4637 129.4949 59.0458 30.4740 178.7190 143 S 4.2590 7.9988 112.0848 60.8227 63.0151 175.0306 144 H 4.5438 7.4619 116.1472 55.7990 29.2635 175.2972 145 F 4.7512 7.0521 118.2324 58.1820 39.3955 174.2106 146 N 4.8521 8.9550 120.4518 53.7607 42.8901 172.6198 147 S 5.2550 8.4145 113.8473 57.4609 67.1152 173.8362 148 I 4.6689 8.4112 121.5175 59.4030 41.0888 174.1918 149 E 4.3352 8.8248 129.3469 55.2282 30.5759 175.1998 150 I 4.6296 9.1832 117.5949 58.2650 40.9043 173.8397 151 G 4.4120 7.4184 109.8702 44.3500 0.0000 172.2783 152 I 4.5721 7.4745 120.8288 58.9572 40.6679 176.2540 153 Q 3.9843 9.0083 126.4906 58.7594 28.8538 177.7186 154 D 4.8237 7.8642 114.7339 52.2488 40.1475 175.2963 155 A 4.7175 7.7426 120.7879 50.9439 22.1059 174.7586 156 P 4.5990 0.0000 0.0000 62.3030 32.4361 176.8547 157 R 4.1204 8.8512 121.1369 55.0190 31.1076 175.4567 158 P 4.3031 0.0000 0.0000 65.0878 32.5577 178.0863 159 R 4.5404 7.8510 117.1369 56.1257 31.3866 175.7138 160 E 5.2596 8.3624 117.4884 54.6397 34.4218 174.9019 161 I 4.7093 8.6723 120.5088 59.4971 41.7190 174.4072 162 L 4.8220 8.6577 128.5369 53.3874 43.9239 174.8729 163 F 4.9149 8.7051 125.2154 55.5410 41.7041 174.6497 164 A 5.3322 8.8073 123.2488 50.4959 23.0071 174.9431 165 L 5.3591 9.2061 119.5298 53.1317 46.1290 175.7451 166 V 5.5038 8.2315 120.5604 60.1087 36.0259 174.0853 *168 G 4.1719 8.4015 108.6954 46.5003 0.0000 173.3503 169 T 5.2497 7.9371 108.8820 60.4305 69.5178 175.7977 170 G 3.8340 7.1960 107.9684 45.7652 0.0000 172.2225 171 A 4.1012 8.1477 124.0734 50.9347 19.7741 177.7283 172 R 4.0399 8.3128 118.5939 56.4316 30.5881 179.1055 173 V 3.6683 8.3701 114.4553 64.1879 31.6869 176.4621 174 H 4.9828 7.7393 115.7937 54.5598 29.6626 173.5818 175 A 4.0854 7.6806 122.4331 53.2128 18.4531 179.8460 176 R 4.5752 8.2686 120.2284 55.5942 29.3019 175.3504 177 L 4.6437 8.2132 115.8088 55.0273 43.1549 178.6308 178 G 3.5201 8.5638 107.2980 48.2480 0.0000 174.8000 179 G 3.8535 8.7589 113.9371 44.0008 0.0000 171.8859 180 L 3.9776 8.2948 120.0493 55.3831 42.6688 176.3561 181 T 4.7122 8.0741 115.0115 59.4016 71.3204 175.3122 182 K 3.5833 8.3824 121.8720 59.8228 32.1257 179.4112 183 E 3.9358 8.0332 116.1622 58.7784 29.5239 177.5022 184 A 4.2652 7.6214 119.6088 52.1897 19.2028 177.6117 185 V 3.7813 7.3092 117.0657 63.3069 31.7311 175.8078 186 S 4.5850 8.8139 119.5633 58.0189 64.7768 175.5255 187 V 3.6895 7.7916 120.0544 64.2284 31.5016 175.6503 188 H 4.1095 7.8849 114.2681 56.9926 25.7943 174.7402 189 D 4.6131 8.3324 116.9048 53.2410 40.0969 176.9756 190 G 4.1101 8.3283 108.5936 46.6752 0.0000 174.4538 191 Q 4.5889 8.6267 116.5579 56.2615 30.8122 176.0670 192 R 4.2518 7.9429 120.6340 56.4208 31.2640 174.9897 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 S 8.33 4.55 0.00 3.87 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 3 L 8.92 4.17 0.00 2.13 1.93 1.18 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.67 4.54 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.97 0.00 0.00 5 E 8.73 4.58 0.00 1.87 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 2.28 2.30 0.00 6 I 8.34 4.51 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.92 0.00 0.00 7 R 9.10 4.39 0.00 1.77 1.92 0.00 3.28 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 8 K 7.59 4.70 0.00 1.82 1.83 0.00 1.49 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.45 7.81 9 R 8.48 5.28 0.00 1.67 1.87 0.00 3.17 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 10 T 8.83 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 1.21 0.00 0.00 11 L 8.57 5.22 0.00 1.62 1.56 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 I 9.03 4.62 1.88 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 1.12 0.62 0.91 0.00 0.00 13 V 8.47 4.72 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 0.94 0.00 0.00 14 E 9.72 4.58 0.00 2.01 1.87 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 2.16 2.23 0.00 15 T 8.47 4.80 4.07 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 0.61 0.00 0.00 16 T 8.60 4.33 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 1.17 0.00 0.00 17 Y 8.62 4.36 0.00 2.92 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 18 H 7.67 4.65 0.00 3.30 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.33 4.63 0.00 1.89 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 0.00 2.23 2.33 0.00 20 N 9.04 4.40 0.00 2.98 2.99 0.00 0.00 7.00 7.65 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 21 G 7.59 3.98 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 0.00 0.00 0.00 22 P 0.00 4.22 0.00 2.06 2.02 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 23 A 8.53 4.24 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 24 P 0.00 4.52 0.00 2.31 2.08 0.00 4.09 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 25 A 8.68 4.16 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 26 Q 7.69 4.69 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 27 P 0.00 4.52 0.00 1.66 1.64 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 28 L 8.35 4.42 0.00 1.74 1.46 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.69 5.10 0.00 1.69 1.62 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.29 7.81 30 L 9.01 5.21 0.00 1.53 1.53 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.61 5.31 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 32 A 9.23 5.17 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 9.12 5.13 0.00 3.92 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 34 C 9.41 5.51 0.00 2.83 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 35 A 9.00 5.08 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 36 V 8.99 4.63 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 0.96 0.00 0.00 0.89 0.00 0.00 37 I 8.78 5.14 2.03 0.00 0.00 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 1.34 1.29 0.99 0.00 0.00 38 R 8.34 4.18 0.00 1.85 1.84 0.00 3.20 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 39 N 9.17 4.62 0.00 2.71 2.74 0.00 0.00 6.99 7.69 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 40 P 0.00 4.00 0.00 0.49 1.52 0.00 2.85 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 1.29 1.89 0.00 41 Y 7.82 4.48 0.00 2.65 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 42 A 7.34 4.00 1.19 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 0.00 0.00 43 G 10.53 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 44 R 7.47 4.59 0.00 1.89 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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 55 E 8.24 3.99 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 56 L 7.92 3.97 0.00 1.47 1.54 -0.47 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.51 4.00 0.00 1.82 1.95 0.00 3.22 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 58 S 8.13 4.10 0.00 4.04 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 59 L 7.88 4.16 0.00 1.81 1.98 0.99 0.99 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 60 G 8.12 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 0.00 0.00 0.00 0.00 61 T 8.09 3.85 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 1.21 0.00 0.00 62 L 7.88 3.96 0.00 1.94 1.94 0.95 0.72 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 63 L 8.15 4.04 0.00 1.90 1.82 1.19 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.33 4.05 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 65 T 8.20 3.83 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 66 E 8.22 3.94 0.00 2.08 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 2.33 2.38 0.00 67 L 7.97 3.99 0.00 1.95 1.74 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.95 3.60 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 1.15 0.00 0.00 0.97 0.00 0.00 69 D 8.13 4.36 0.00 2.85 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 70 T 7.95 4.05 4.41 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 1.22 0.00 0.00 71 L 8.10 4.39 0.00 1.61 1.72 0.94 1.14 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 72 G 8.32 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 0.00 0.00 0.00 73 K 8.64 3.94 0.00 1.79 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.05 7.81 74 D 8.03 4.64 0.00 2.67 2.74 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 75 N 8.18 4.80 0.00 3.02 2.81 0.00 0.00 6.89 7.07 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 76 I 7.52 4.63 1.83 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 1.65 0.77 0.86 0.00 0.00 77 E 9.62 4.76 0.00 2.02 2.23 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 2.34 2.31 0.00 78 V 7.94 5.11 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 1.04 0.00 0.00 1.00 0.00 0.00 79 Y 8.26 5.19 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 124 T 8.27 4.12 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 1.19 0.00 0.00 125 A 7.69 4.32 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 0.00 126 G 9.05 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 0.00 0.00 0.00 127 Y 7.59 4.11 0.00 3.06 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 0.00 128 R 7.22 4.87 0.00 1.58 1.89 0.00 3.29 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 *131 V 8.01 4.01 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 1.05 0.00 0.00 0.97 0.00 0.00 132 P 0.00 5.18 0.00 2.17 2.06 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 133 V 9.33 5.00 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 1.13 0.00 0.00 1.03 0.00 0.00 134 H 8.44 5.48 0.00 3.24 3.74 0.00 5.48 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 8.53 4.87 0.00 2.80 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 0.00 136 I 8.11 3.18 0.89 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.36 -0.25 0.00 0.00 137 H 6.08 4.39 0.00 2.70 3.23 0.00 5.74 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 0.00 138 A 7.32 4.35 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.86 4.02 0.00 3.67 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 0.00 140 Y 8.03 4.31 0.00 3.21 3.09 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 0.00 141 V 7.61 4.04 1.77 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 0.77 0.00 0.00 0.79 0.00 0.00 142 R 8.46 3.79 0.00 1.99 2.13 0.00 3.60 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 143 S 8.00 4.26 0.00 4.00 4.07 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 0.00 144 H 7.46 4.54 0.00 3.07 3.36 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 7.05 4.75 0.00 3.06 2.91 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 0.00 146 N 8.96 4.85 0.00 2.98 2.69 0.00 0.00 6.62 6.95 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 0.00 147 S 8.41 5.26 0.00 3.76 3.71 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 0.00 148 I 8.41 4.67 1.89 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 1.12 0.85 0.94 0.00 0.00 149 E 8.82 4.34 0.00 1.94 1.80 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 2.20 2.23 0.00 150 I 9.18 4.63 1.88 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 1.36 1.01 0.93 0.00 0.00 151 G 7.42 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.47 4.57 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.12 0.94 0.00 0.00 153 Q 9.01 3.98 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 154 D 7.86 4.82 0.00 2.78 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 0.00 155 A 7.74 4.72 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 0.00 156 P 0.00 4.60 0.00 2.28 2.07 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 157 R 8.85 4.12 0.00 1.95 1.88 0.00 3.13 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 158 P 0.00 4.30 0.00 2.04 2.10 0.00 3.54 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 159 R 7.85 4.54 0.00 1.71 1.85 0.00 3.03 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 160 E 8.36 5.26 0.00 2.01 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 2.17 2.21 0.00 161 I 8.67 4.71 1.42 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.61 -0.26 0.00 0.00 162 L 8.66 4.82 0.00 1.51 1.34 0.88 0.80 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 0.00 163 F 8.71 4.91 0.00 2.24 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 0.00 164 A 8.81 5.33 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 0.00 165 L 9.21 5.36 0.00 1.68 1.61 0.98 1.00 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 0.00 166 V 8.23 5.50 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 1.43 0.00 0.00 0.99 0.00 0.00 *168 G 8.40 4.17 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 0.00 0.00 0.00 169 T 7.94 5.25 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 1.20 0.00 0.00 170 G 7.20 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 0.00 171 A 8.15 4.10 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 0.00 172 R 8.31 4.04 0.00 1.88 1.87 0.00 3.18 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 173 V 8.37 3.67 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 0.64 0.00 0.00 0.72 0.00 0.00 174 H 7.74 4.98 0.00 3.12 3.23 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 0.00 175 A 7.68 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 R 8.27 4.58 0.00 1.90 1.97 0.00 3.00 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 177 L 8.21 4.64 0.00 1.68 1.73 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.56 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 0.00 0.00 0.00 0.00 179 G 8.76 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 0.00 180 L 8.29 3.98 0.00 1.75 1.76 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 181 T 8.07 4.71 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 1.23 0.00 0.00 182 K 8.38 3.58 0.00 1.68 1.80 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.30 0.99 7.81 183 E 8.03 3.94 0.00 1.91 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 2.29 2.35 0.00 184 A 7.62 4.27 1.29 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 0.00 0.00 0.00 185 V 7.31 3.78 2.20 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 0.73 0.00 0.00 1.11 0.00 0.00 186 S 8.81 4.58 0.00 3.93 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 0.00 187 V 7.79 3.69 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 0.82 0.00 0.00 0.93 0.00 0.00 188 H 7.88 4.11 0.00 3.36 3.37 0.00 5.74 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.33 4.61 0.00 2.80 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 0.00 190 G 8.33 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Q 8.63 4.59 0.00 2.50 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 192 R 7.94 4.25 0.00 1.76 1.68 0.00 2.98 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 * Residues marked with a * may have inaccurate shift predictions.