NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37 M 4.4824 8.2931 120.3347 55.9763 32.7039 174.8148 38 G 3.8420 7.9491 109.5106 42.7658 0.0000 171.3336 39 L 3.9613 8.0401 128.5584 57.9564 42.9394 177.0416 40 E 4.0812 8.0413 116.2174 59.2263 29.8924 178.4610 41 Q 4.0925 7.9743 120.1223 59.0750 29.3372 177.8944 42 L 4.0487 8.3247 120.1902 57.4487 41.3862 178.9908 43 E 4.0323 7.7696 117.5149 58.7953 29.5250 178.5416 44 A 4.1972 7.5665 120.7205 54.8718 18.8583 178.8342 45 Q 4.3367 7.8702 112.2299 56.2006 29.3375 174.7461 46 T 4.6554 7.3217 109.7265 60.1914 71.8699 173.3407 47 N 4.5280 8.3456 117.8004 53.9101 39.0671 176.3517 48 F 4.6626 6.9791 117.1994 57.2497 39.7698 175.9065 49 T 4.3880 9.1118 115.3305 60.8480 70.6434 175.7845 50 K 4.0068 8.5226 120.8687 59.7608 31.5602 178.7388 51 R 4.0490 7.9580 117.9844 59.0906 30.0401 178.7129 52 E 4.0143 8.0099 117.6410 59.4648 29.5406 179.3008 53 L 4.1354 8.1465 118.9257 57.9463 41.5964 179.7291 54 Q 4.0855 7.8852 117.1691 58.8031 28.5641 178.7792 55 V 3.6383 7.4882 118.4538 65.9327 31.5339 178.1517 56 L 4.0937 8.3763 119.2762 57.9120 41.3670 178.9087 57 Y 3.5230 8.2247 119.5517 60.5412 38.5538 178.0610 58 R 3.8428 8.1228 119.2073 59.3664 29.9729 179.3576 59 G 3.6028 8.2255 104.5926 47.4072 0.0000 175.4432 60 F 4.0102 8.2394 123.0873 61.0549 39.0768 177.5003 61 K 3.6436 8.1414 119.4619 58.9793 31.6384 178.2401 62 N 4.0095 7.4862 115.6260 55.1609 38.4283 176.1981 63 E 4.4018 7.4457 119.2061 56.4672 30.7815 175.6622 64 C 4.2768 6.7708 113.4715 55.1136 29.8977 170.2560 65 P 4.3373 0.0000 0.0000 63.4128 29.8408 175.6370 66 S 3.7980 8.4456 117.0266 58.8849 61.9427 173.7352 67 G 3.5312 7.4831 109.6200 45.4100 0.0000 172.4561 68 V 3.1444 7.6760 122.3352 62.3100 30.4317 172.0108 69 V 3.1849 7.8940 119.3891 61.8598 32.0076 175.6853 70 N 5.0988 8.1095 121.4587 50.2946 40.4042 174.5322 71 E 3.9030 7.7003 117.0051 59.6911 29.3720 178.2359 72 D 4.3099 7.9027 117.3294 57.7102 41.4154 178.1467 73 T 3.9029 7.7064 116.2185 66.6365 68.3850 176.4752 74 F 4.3673 7.9351 119.1195 60.6077 39.0152 177.4733 75 K 4.1354 8.2467 118.9977 59.9930 31.7471 178.8322 76 Q 4.1041 7.9716 116.9697 58.6888 28.7291 178.6100 77 I 3.7801 7.7684 120.8126 64.7396 37.2785 178.0132 78 Y 4.7560 8.3670 116.6182 60.4121 37.6006 177.9089 79 A 4.2466 8.1894 121.6440 55.1920 18.5006 179.3296 80 Q 4.0283 7.6977 115.9078 58.9754 28.8001 178.4600 81 F 4.3804 8.0235 117.7173 58.6281 39.5623 175.1272 82 F 4.8424 8.2220 117.5942 54.7572 39.4327 173.2480 83 P 4.4817 0.0000 0.0000 63.1346 32.3079 175.9449 84 H 3.9800 8.7973 115.0206 55.9357 26.1830 176.1039 85 G 4.0883 7.4988 103.2049 45.4699 0.0000 172.2326 86 D 4.4576 8.8367 125.0895 54.1712 41.7672 175.8624 87 A 4.9001 8.5963 127.0819 52.0834 19.3338 177.9214 88 S 4.1099 8.3765 118.2162 62.8387 62.9172 177.0424 89 T 3.7387 7.8479 111.7693 64.9187 68.6211 175.7728 90 Y 4.2978 8.0936 121.9816 60.3733 38.9576 177.4487 91 A 3.8084 8.0502 121.6598 55.4982 18.4232 179.2142 92 H 4.2183 7.6972 116.5809 59.7163 29.4621 177.2231 93 Y 4.1724 7.2992 118.1640 60.8677 37.4249 178.1012 94 L 3.8014 7.7129 121.0669 57.7429 42.4766 178.4342 95 F 4.3768 8.0063 120.8709 61.0120 39.1424 176.8114 96 N 4.2513 7.9724 115.3803 56.1156 38.7502 176.4218 97 A 3.6769 7.2457 120.3238 55.9507 18.7752 177.7203 98 F 4.4724 7.6699 118.1729 57.4757 40.5314 174.7686 99 D 4.3168 8.7086 116.2578 56.1785 38.3134 174.3807 100 T 4.4933 7.9204 117.0434 63.6286 71.9744 175.7746 101 T 4.1570 8.3205 117.5830 64.3813 66.9881 174.6566 102 Q 4.4407 9.2496 126.9501 58.7677 31.6954 177.5773 103 T 4.0625 7.9518 106.6337 61.7075 69.3904 174.6479 104 G 4.6817 8.0230 115.5376 46.0970 0.0000 174.2647 105 S 4.8488 7.8683 114.6386 57.6853 63.8023 173.6410 106 V 4.1054 8.2434 123.8119 61.1407 32.1500 176.4483 107 K 4.4661 8.7316 124.8731 55.8673 34.3918 177.6728 108 F 3.5597 8.9731 121.5662 61.1679 38.9565 176.4785 109 E 3.8004 8.3137 117.7409 59.8497 28.8310 179.0726 110 D 4.6149 8.0184 119.0055 56.1418 40.8818 178.5319 111 F 4.2692 8.1492 122.0124 61.1347 39.3716 177.4828 112 V 3.2962 7.8244 119.3852 64.3988 30.9276 178.5258 113 T 3.8987 7.6636 110.2644 64.5014 68.6145 176.5099 114 A 3.9583 7.7490 122.8780 54.8531 18.4864 179.3829 115 L 3.7434 7.4088 118.8068 57.8278 42.0719 179.1385 116 S 3.5003 8.3492 113.9323 61.1248 62.0863 176.1663 117 I 3.6290 7.7383 122.5738 64.4387 36.6413 178.4994 118 L 3.9745 7.5125 118.4779 56.7640 41.4243 178.4929 119 L 4.4621 7.5670 117.2892 55.1994 42.9126 177.5124 120 R 4.4801 7.8504 114.7998 55.9044 32.4918 176.1867 121 G 3.7431 7.3314 104.9022 44.9815 0.0000 173.0445 122 T 4.1068 8.2824 110.3804 61.0362 69.6413 175.9288 123 V 3.6231 8.2502 121.0957 65.0920 31.5364 177.2666 124 H 4.6857 8.1401 114.9636 55.9440 28.6721 175.5927 125 E 4.5991 7.9166 120.6617 57.6111 31.2983 178.2794 126 K 4.0042 8.0233 118.3106 59.6333 32.2010 179.5151 127 L 4.2606 7.9456 118.9463 57.7858 41.5614 179.5047 128 R 4.0130 8.1185 118.3486 59.0709 30.0495 178.3107 129 W 3.8359 8.6034 128.3840 60.7695 30.7719 178.0469 130 T 3.7835 8.3155 115.8411 66.6337 67.8957 176.3116 131 F 3.6966 8.7052 122.7196 61.1803 39.1738 176.6698 132 N 3.9176 7.8407 115.4998 56.3581 38.6557 176.2823 133 L 3.6448 6.9452 121.1138 58.0369 42.1862 178.2515 134 Y 4.5161 7.1179 115.8968 59.7860 38.6158 176.3431 135 D 4.3555 7.4379 119.9772 52.8130 39.7978 176.7126 136 I 3.6220 7.8096 125.6554 64.0187 37.4736 177.5945 137 N 4.3907 8.3546 114.4989 53.0703 37.7147 174.5704 138 K 3.7501 7.4639 118.0539 57.8653 30.3488 175.1492 139 D 4.6586 8.1090 115.2244 53.3306 41.6943 177.2206 140 G 3.7453 8.2499 106.1684 46.1741 0.0000 172.7047 141 Y 5.1477 7.5823 115.6682 56.2621 42.1732 174.9077 142 I 4.7460 8.8052 123.3332 59.7293 39.6930 174.9371 143 N 5.5123 8.5375 123.6236 50.1671 40.4094 176.0734 144 K 3.4919 8.4667 118.0458 59.8421 32.0997 179.1162 145 E 3.9538 8.0745 118.5816 58.7486 29.1381 178.1727 146 E 3.9645 8.7121 120.0194 59.5013 29.7612 178.5199 147 M 3.5440 8.3154 118.5492 58.6634 32.2442 177.7940 148 M 3.9560 7.8481 118.3421 58.5978 32.3119 177.9756 149 D 4.3440 7.8441 118.7472 57.2424 40.9213 178.7909 150 I 3.6874 7.0553 119.9985 64.0878 37.2171 178.4549 151 V 3.5040 7.5863 119.1270 65.9632 31.3107 178.0490 152 K 3.9280 7.9988 119.0400 59.3371 31.7761 178.7044 153 A 4.2003 7.8404 120.5333 54.8997 18.6046 179.4106 154 I 3.6178 7.8484 118.3736 64.5685 37.1194 177.8644 155 Y 3.9911 8.1691 117.5302 61.4723 37.4427 178.7234 156 D 4.4569 8.1720 118.9223 57.0361 40.8514 178.2986 157 M 4.5515 7.7760 118.0984 55.1925 31.2565 177.8091 158 M 4.0015 7.5214 118.3770 56.3189 30.3534 176.6947 *169 D 4.6501 9.1972 127.5854 54.9080 43.8067 174.7202 170 T 4.0538 7.9772 115.8746 62.7828 68.9179 173.3135 171 P 4.4864 0.0000 0.0000 63.2720 29.6327 177.2508 172 R 3.2646 8.0567 116.7904 57.3308 29.9278 177.4731 173 Q 4.6407 8.2404 117.5768 56.6643 29.8448 176.5107 174 H 4.4187 7.9295 118.7671 57.4553 29.9290 176.1802 175 V 3.7467 7.6593 119.7461 66.8785 31.0430 177.2599 176 D 4.4097 7.9638 118.9915 57.3141 40.3800 178.8983 177 V 3.7425 7.7045 117.6402 65.5088 31.3868 177.5181 178 F 4.2174 8.0988 120.1817 61.5247 39.4462 177.2734 179 F 4.0298 8.8969 117.6809 60.4696 38.4707 177.5434 180 Q 4.1290 7.8845 117.2493 57.7787 29.5385 176.2457 181 K 4.6789 7.4799 117.6344 55.1171 32.7909 175.7226 182 M 4.9921 7.5471 114.5315 56.2287 37.9962 173.5643 183 D 4.7031 7.7579 118.7660 52.9677 41.9491 176.0561 184 K 4.2034 8.9027 126.5763 59.3397 32.6476 178.2692 185 N 4.3760 8.9475 115.8269 54.1931 38.8148 175.1024 186 K 3.9352 8.3414 116.9949 58.0336 30.1347 174.9202 187 D 4.7477 8.4472 113.8651 52.8425 40.3584 176.7183 188 G 3.7809 8.5336 107.7147 45.7829 0.0000 172.7838 189 I 4.8771 7.9365 118.8593 59.2784 40.6680 174.7555 190 V 4.7285 8.9432 127.6400 61.5709 33.6364 175.6287 191 T 4.7582 8.7060 118.7576 60.7477 71.2171 175.6324 192 L 2.6289 8.2747 121.5941 58.2231 41.8329 178.3877 193 D 4.3004 7.9125 118.2247 57.3806 40.3284 178.4527 194 E 3.9665 8.2030 119.8855 58.9959 29.6492 178.6987 195 F 4.1819 8.2673 120.8445 61.1021 39.3999 177.2470 196 L 3.9766 8.2898 119.2599 57.8772 41.6374 179.4185 197 E 4.0890 7.9629 117.2399 59.0888 29.6589 178.8157 198 S 4.1649 7.6287 112.7780 60.8279 61.9160 175.5347 199 C 4.0660 7.6157 118.8264 62.0629 27.6689 175.8948 200 Q 4.1712 7.3897 118.0392 58.7860 28.3205 177.8627 201 E 4.2465 7.5582 118.3179 57.9300 29.9190 176.0490 202 D 4.5286 7.4136 120.1326 52.8988 40.4281 176.0275 203 D 4.3700 8.4229 126.7880 56.6117 41.4292 177.0899 204 N 4.3918 8.2599 117.3948 56.4635 38.8633 177.0006 205 I 3.8559 7.5033 121.3846 64.6872 37.3203 178.1498 206 M 4.1446 8.0359 118.9571 58.4325 31.4850 178.7079 207 R 3.9165 7.7953 118.2491 59.1703 30.3206 177.9417 208 S 4.3720 7.4209 110.6027 60.5870 62.6683 175.5350 209 L 4.1893 8.5315 122.7710 57.0193 40.9565 177.6392 210 Q 4.7061 7.8012 117.2879 55.6745 29.9733 177.7363 211 L 3.9546 8.0754 121.9011 55.4917 42.0496 173.7461 212 F 3.5106 7.6113 127.4771 57.7215 38.9477 174.4098 213 Q 4.3128 7.9019 127.5559 53.7360 29.7265 175.4042 214 N 4.4378 8.1186 120.5775 52.1723 39.1325 176.0216 215 V 4.1480 7.9339 121.2474 63.3168 32.3246 175.7437 216 M 3.4994 8.6806 117.3345 56.0101 31.6561 176.3401 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 37 M 8.29 4.48 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 38 G 7.95 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 39 L 8.04 3.96 0.00 1.73 1.66 0.95 0.89 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 40 E 8.04 4.08 0.00 2.17 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 0.00 2.28 2.37 0.00 41 Q 7.97 4.09 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 42 L 8.32 4.05 0.00 1.94 1.76 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.77 4.03 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 44 A 7.57 4.20 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 45 Q 7.87 4.34 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 46 T 7.32 4.66 4.26 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 1.28 0.00 0.00 47 N 8.35 4.53 0.00 2.24 2.68 0.00 0.00 7.05 8.15 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 48 F 6.98 4.66 0.00 3.10 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 49 T 9.11 4.39 4.31 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 1.28 0.00 0.00 50 K 8.52 4.01 0.00 1.98 1.88 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.68 7.81 51 R 7.96 4.05 0.00 1.91 1.99 0.00 3.37 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 52 E 8.01 4.01 0.00 2.31 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 2.39 2.43 0.00 53 L 8.15 4.14 0.00 1.79 1.87 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.89 4.09 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 55 V 7.49 3.64 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 1.14 0.00 0.00 1.02 0.00 0.00 56 L 8.38 4.09 0.00 1.83 1.93 -0.17 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.22 3.52 0.00 2.71 2.81 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 0.00 0.00 0.00 0.00 58 R 8.12 3.84 0.00 2.15 1.94 0.00 3.20 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 59 G 8.23 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.24 4.01 0.00 3.01 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 61 K 8.14 3.64 0.00 1.00 1.36 0.00 1.52 0.00 0.00 1.51 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.16 1.11 7.81 62 N 7.49 4.01 0.00 2.61 2.73 0.00 0.00 6.96 8.15 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 63 E 7.45 4.40 0.00 1.72 1.65 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 2.11 2.15 0.00 64 C 6.77 4.28 0.00 2.56 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 65 P 0.00 4.34 0.00 1.97 1.97 0.00 3.68 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 1.91 1.91 0.00 66 S 8.45 3.80 0.00 4.10 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 67 G 7.48 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.68 3.14 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 0.98 0.00 0.00 1.04 0.00 0.00 69 V 7.89 3.18 1.33 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 0.14 0.00 0.00 1.05 0.00 0.00 70 N 8.11 5.10 0.00 2.55 2.88 0.00 0.00 6.20 8.85 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 71 E 7.70 3.90 0.00 1.40 1.74 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 2.35 2.52 0.00 72 D 7.90 4.31 0.00 2.77 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 73 T 7.71 3.90 3.93 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 0.92 0.00 0.00 74 F 7.94 4.37 0.00 3.51 3.31 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 75 K 8.25 4.14 0.00 1.97 2.10 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.60 7.81 76 Q 7.97 4.10 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 77 I 7.77 3.78 1.91 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 1.38 1.47 0.77 0.00 0.00 78 Y 8.37 4.76 0.00 3.49 3.47 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 79 A 8.19 4.25 1.50 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 0.00 0.00 80 Q 7.70 4.03 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 81 F 8.02 4.38 0.00 3.06 2.29 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 82 F 8.22 4.84 0.00 3.20 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 83 P 0.00 4.48 0.00 2.11 2.03 0.00 3.93 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 2.05 2.12 0.00 84 H 8.80 3.98 0.00 3.26 3.39 0.00 5.93 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 85 G 7.50 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.84 4.46 0.00 2.73 2.60 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 0.00 0.00 0.00 0.00 87 A 8.60 4.90 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.38 4.11 0.00 3.91 3.93 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 89 T 7.85 3.74 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 1.21 0.00 0.00 90 Y 8.09 4.30 0.00 3.29 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 91 A 8.05 3.81 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 0.00 0.00 0.00 0.00 0.00 92 H 7.70 4.22 0.00 3.16 3.11 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.30 4.17 0.00 3.06 2.81 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 0.00 0.00 0.00 0.00 94 L 7.71 3.80 0.00 0.92 1.33 0.65 0.74 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 95 F 8.01 4.38 0.00 3.15 3.14 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 96 N 7.97 4.25 0.00 2.80 2.89 0.00 0.00 7.20 7.76 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 97 A 7.25 3.68 0.60 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 0.00 0.00 0.00 0.00 0.00 0.00 98 F 7.67 4.47 0.00 3.04 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 99 D 8.71 4.32 0.00 2.80 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 0.00 100 T 7.92 4.49 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 1.21 0.00 0.00 101 T 8.32 4.16 4.28 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 1.24 0.00 0.00 102 Q 9.25 4.44 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 103 T 7.95 4.06 4.31 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 1.26 0.00 0.00 104 G 8.02 4.68 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 0.00 0.00 0.00 105 S 7.87 4.85 0.00 4.33 4.06 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 0.00 0.00 0.00 106 V 8.24 4.11 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 0.70 0.00 0.00 0.76 0.00 0.00 107 K 8.73 4.47 0.00 1.98 2.10 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.51 7.81 108 F 8.97 3.56 0.00 2.58 3.08 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 0.00 0.00 0.00 0.00 109 E 8.31 3.80 0.00 2.12 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 2.45 2.52 0.00 110 D 8.02 4.61 0.00 2.88 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 0.00 111 F 8.15 4.27 0.00 3.09 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 0.00 112 V 7.82 3.30 1.09 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 0.68 0.00 0.00 0.79 0.00 0.00 113 T 7.66 3.90 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 0.00 114 A 7.75 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.41 3.74 0.00 1.37 1.67 0.79 0.62 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 0.00 116 S 8.35 3.50 0.00 3.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.74 3.63 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.31 2.38 0.00 126 K 8.02 4.00 0.00 1.85 1.89 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.53 1.75 7.81 127 L 7.95 4.26 0.00 1.95 2.03 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.12 4.01 0.00 2.11 2.19 0.00 3.35 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 129 W 8.60 3.84 0.00 3.58 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.32 3.78 4.52 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 0.96 0.00 0.00 131 F 8.71 3.70 0.00 2.74 3.13 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 0.00 132 N 7.84 3.92 0.00 2.64 2.42 0.00 0.00 7.23 7.06 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 0.00 133 L 6.95 3.64 0.00 1.20 1.39 0.70 1.12 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 0.00 134 Y 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0.00 0.00 2.26 1.65 0.00 *169 D 9.20 4.65 0.00 2.68 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 0.00 170 T 7.98 4.05 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 1.24 0.00 0.00 171 P 0.00 4.49 0.00 2.18 2.04 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 172 R 8.06 3.26 0.00 1.81 1.99 0.00 2.89 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 173 Q 8.24 4.64 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 174 H 7.93 4.42 0.00 3.28 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 7.66 3.75 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 1.35 0.00 0.00 0.85 0.00 0.00 176 D 7.96 4.41 0.00 2.88 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 0.00 177 V 7.70 3.74 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.84 0.00 0.00 178 F 8.10 4.22 0.00 3.20 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 0.00 179 F 8.90 4.03 0.00 3.36 3.13 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 0.00 180 Q 7.88 4.13 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.39 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 181 K 7.48 4.68 0.00 1.69 1.63 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.30 7.81 182 M 7.55 4.99 0.00 1.27 1.26 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 183 D 7.76 4.70 0.00 2.93 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 0.00 184 K 8.90 4.20 0.00 1.97 1.85 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.39 7.81 185 N 8.95 4.38 0.00 2.85 2.89 0.00 0.00 7.01 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.34 3.94 0.00 1.90 1.87 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.45 7.81 187 D 8.45 4.75 0.00 2.78 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 0.00 188 G 8.53 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 0.00 0.00 0.00 189 I 7.94 4.88 2.04 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.95 0.00 0.00 190 V 8.94 4.73 2.17 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 1.20 0.00 0.00 0.72 0.00 0.00 191 T 8.71 4.76 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 192 L 8.27 2.63 0.00 0.63 1.29 0.39 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 193 D 7.91 4.30 0.00 2.74 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 0.00 194 E 8.20 3.97 0.00 2.12 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 2.51 2.33 0.00 195 F 8.27 4.18 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 0.00 196 L 8.29 3.98 0.00 1.73 1.76 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 197 E 7.96 4.09 0.00 2.11 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 2.47 2.27 0.00 198 S 7.63 4.16 0.00 3.99 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 C 7.62 4.07 0.00 2.76 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 0.00 200 Q 7.39 4.17 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 201 E 7.56 4.25 0.00 1.97 1.91 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 2.28 2.28 0.00 202 D 7.41 4.53 0.00 2.89 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 0.00 203 D 8.42 4.37 0.00 2.81 2.63 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 0.00 204 N 8.26 4.39 0.00 2.91 2.83 0.00 0.00 7.04 7.13 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 0.00 205 I 7.50 3.86 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.65 0.92 0.00 0.00 206 M 8.04 4.14 0.00 2.00 2.11 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 2.66 2.78 0.00 207 R 7.80 3.92 0.00 2.04 2.12 0.00 3.25 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 208 S 7.42 4.37 0.00 3.99 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 0.00 209 L 8.53 4.19 0.00 1.73 1.78 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 7.80 4.71 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 211 L 8.08 3.95 0.00 1.76 1.78 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 212 F 7.61 3.51 0.00 3.32 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 0.00 213 Q 7.90 4.31 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 214 N 8.12 4.44 0.00 2.84 2.79 0.00 0.00 6.15 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 0.00 215 V 7.93 4.15 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 0.81 0.00 0.00 0.92 0.00 0.00 216 M 8.68 3.50 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 * Residues marked with a * may have inaccurate shift predictions.