NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 D 4.6877 8.3644 119.5554 52.7712 42.0842 174.7387 17 D 4.5049 8.0220 117.4572 54.9325 43.1514 174.5756 18 S 4.2568 8.3148 114.0861 57.7010 64.5843 173.3162 19 A 4.1747 8.3319 124.6499 52.1781 18.9181 178.8454 20 S 4.1476 8.9585 119.9006 61.7801 63.1413 176.2830 21 V 4.4679 6.9942 111.6036 58.7616 35.2211 177.0540 22 E 4.3695 8.7049 121.9827 55.2793 29.0374 176.0124 23 V 4.3330 8.0329 124.0202 59.9030 33.3347 173.5984 24 P 4.7068 0.0000 0.0000 63.1941 32.1186 175.6294 25 R 4.7649 8.9076 118.4550 54.1838 32.8771 174.6865 26 R 4.6356 8.4911 120.9298 55.9307 30.8740 175.8218 27 A 4.4977 9.0199 129.6700 52.1680 19.2457 176.9659 28 T 4.5328 9.2039 112.3056 58.8510 71.6826 173.5413 29 P 4.1725 0.0000 0.0000 65.8522 30.8170 178.6271 30 A 4.1043 7.5150 117.1694 54.6609 18.4235 178.3167 31 D 4.6524 8.1807 116.0395 54.2825 40.9609 178.0004 32 A 3.9769 7.9338 123.5752 55.4226 18.3818 179.9099 33 A 3.9426 7.9991 118.4661 55.5938 18.2325 179.8376 34 T 3.8126 7.7690 112.5742 66.7990 68.7486 176.5831 35 V 3.7591 7.9306 118.7720 65.9329 31.8262 177.3844 36 A 4.2455 8.2530 120.7365 55.2456 18.1021 180.0658 37 Q 4.1781 8.0365 114.2998 57.1005 28.8757 177.9253 *39 L 4.5910 7.8251 119.6939 54.8458 43.8790 178.6588 40 H 4.1493 8.6125 117.6276 59.5299 29.6939 177.0673 41 D 4.3621 8.6315 121.0720 57.3045 40.5878 178.7507 42 F 4.1042 8.2973 117.7941 60.6653 38.8943 177.3228 43 N 4.4174 8.3693 116.2581 56.6272 38.2713 177.6884 44 T 3.8425 8.1521 111.4461 64.7652 68.6394 176.2120 45 E 3.7123 8.3437 121.5576 57.9548 29.5698 177.8286 46 F 4.7395 7.7076 114.6373 56.5550 39.4905 176.0179 47 G 3.8117 7.7595 106.0434 46.0046 0.0000 173.4926 48 A 4.6410 8.0300 122.3061 49.2534 20.4053 176.6054 49 P 4.4861 0.0000 0.0000 63.2655 32.1149 175.6933 50 T 4.6417 7.8649 112.6884 59.9820 70.2830 171.6844 51 P 4.5257 0.0000 0.0000 61.8808 32.3691 176.8756 52 G 3.9206 8.3526 106.4744 44.6046 0.0000 174.7656 53 T 3.9479 8.3081 111.2579 64.6762 68.5499 176.2723 54 D 4.3078 8.0507 121.1992 57.2102 40.9493 178.1472 55 E 3.9240 8.1366 119.0683 59.2756 29.7008 178.6330 56 L 3.9812 8.0073 118.6570 57.8738 41.6765 179.3939 57 A 4.0461 8.5298 121.0153 55.1118 17.9832 179.6213 58 S 4.0247 8.3138 111.7740 61.6018 62.4893 176.4103 59 R 4.0135 8.1439 121.3979 59.4966 29.7543 178.5092 60 L 4.0501 8.5196 119.5295 57.6075 41.3505 179.5377 61 S 4.1459 8.1678 113.8038 61.4416 63.1019 176.2561 62 H 4.3300 7.8275 118.5323 58.6965 28.7285 177.5388 63 L 4.0381 8.0562 120.7163 57.9323 41.3289 179.5338 64 L 4.1634 8.1851 116.9180 56.6382 41.6371 178.4644 65 A 4.3717 7.8394 119.3709 52.9901 19.0333 176.8510 66 G 4.0690 7.7660 106.0556 44.1645 0.0000 173.2189 67 E 4.5195 8.4674 116.3048 56.2158 30.5058 176.8423 68 D 4.7111 8.0516 120.1675 55.9853 42.4814 176.4143 69 V 4.9096 7.8186 117.4675 60.9398 34.0229 175.0596 70 V 4.5450 9.1215 127.9248 61.0172 34.7360 174.0807 71 V 4.8576 8.3882 126.4773 61.1341 34.2198 173.7734 72 L 5.2085 8.8126 127.7695 53.0596 44.3101 175.3094 73 L 5.2340 9.1711 122.7519 52.8525 44.9497 175.2438 74 A 4.9051 9.2597 124.7123 51.3298 22.0940 176.5117 75 G 4.0451 9.6811 107.9340 45.8009 0.0000 172.5578 76 E 4.5833 8.2012 121.2641 53.1184 31.1446 173.4754 77 P 4.4972 0.0000 0.0000 61.3291 32.2372 174.6712 78 P 4.8658 0.0000 0.0000 63.1265 31.5086 175.9769 79 T 4.7249 8.8520 110.1502 61.1994 70.1373 173.5020 80 G 4.5889 8.0236 108.8770 45.1005 0.0000 171.2408 81 L 5.3116 8.8087 119.1541 54.3928 44.4838 174.2595 82 A 5.1106 8.9876 121.0742 50.0736 22.7333 175.1628 83 V 4.6603 8.6066 120.8819 61.0155 34.3284 174.3077 84 L 5.3102 9.1052 128.2124 52.8531 44.7603 175.6529 85 S 5.3507 8.7366 117.3290 56.5849 66.1829 172.8952 86 F 5.3151 9.1136 120.1269 55.9787 42.1179 174.5901 87 R 4.7914 8.6876 117.2156 54.4615 33.1284 172.7054 88 P 4.9644 0.0000 0.0000 62.4898 32.6910 175.2414 89 N 5.0247 8.3928 117.7177 52.2297 41.8711 175.7613 90 V 3.4478 8.3357 118.0216 63.6480 31.6945 177.0732 91 W 4.7224 7.8199 117.0351 56.9539 29.6646 175.5572 92 Y 4.9534 7.5048 115.6870 55.2500 40.8073 174.0533 93 P 4.3667 0.0000 0.0000 64.7607 31.8688 176.4456 94 G 4.3311 8.0568 106.3553 41.8323 0.0000 170.5900 95 P 4.7413 0.0000 0.0000 62.7989 33.0621 175.2004 96 V 4.3875 8.8277 120.3786 61.1080 33.8221 174.2504 97 A 4.8827 8.4250 128.4690 50.0679 22.1380 175.1775 98 I 4.6467 8.0380 120.5555 59.3388 40.6952 175.3473 99 L 4.3651 8.6525 129.6197 54.3815 40.1348 175.8187 100 D 4.5086 8.6316 125.1179 56.7885 41.5164 176.5622 101 E 4.5995 7.6893 115.3547 54.7611 34.3870 174.5471 102 L 4.7671 8.3708 123.6860 53.8968 44.8463 175.3824 103 Y 4.3210 8.9371 126.3498 56.3330 39.2776 175.5372 104 V 4.9227 7.6193 116.1308 59.3452 36.3390 175.9341 105 R 4.3513 8.7121 121.2717 55.0396 30.8101 174.8830 106 P 4.4346 0.0000 0.0000 63.9755 31.8979 175.7414 107 G 3.8518 8.7554 104.9724 44.5196 0.0000 174.5128 108 R 3.9158 8.7191 116.5535 59.3487 29.8267 179.3534 109 R 3.9732 7.9609 117.8100 59.5347 30.3265 178.6533 110 G 4.2147 8.0282 106.3896 47.5466 0.0000 174.8991 111 H 4.0630 8.3556 120.5266 58.9106 29.8796 177.3970 112 R 3.9366 8.1483 120.5404 59.4602 29.9923 178.4233 113 L 4.1251 8.0563 118.9088 57.8075 41.5561 179.7280 114 G 3.5582 8.6135 105.8970 47.8693 0.0000 175.5585 115 S 4.2266 8.6025 115.7904 61.1209 62.3923 176.1707 116 A 4.0439 8.2030 123.4103 55.1868 18.0654 179.6457 117 L 3.9784 8.4870 117.9957 57.7414 41.6244 179.5358 118 L 4.0199 8.4031 120.3413 58.0446 42.1127 178.7370 119 A 3.9982 8.1991 120.5082 55.2970 18.3247 179.4228 120 A 3.9962 8.1954 119.1881 55.3920 18.3701 179.9868 121 S 4.1245 8.3916 113.7821 62.0366 62.9467 176.6943 122 C 4.2481 8.4312 119.5661 62.8610 27.8435 176.4495 123 G 3.6509 8.1946 107.2594 47.6145 0.0000 175.5070 124 L 4.0481 8.1216 124.0723 57.4112 42.1573 179.1037 125 V 3.9151 8.0757 118.2949 66.3719 31.4571 178.1908 126 R 4.1265 8.2445 117.9528 59.2769 29.9970 179.1789 127 S 4.2183 8.3304 114.0966 61.0673 62.6430 175.7896 128 R 4.4200 7.6491 118.9290 55.6017 30.1333 177.0636 129 G 3.9064 8.1041 107.9264 45.6827 0.0000 173.6057 130 G 3.9177 8.1345 108.2352 44.2301 0.0000 174.1489 131 A 4.6379 8.2786 124.0530 51.2632 20.0482 175.7042 132 L 4.4842 7.3252 119.1186 54.0270 45.7036 173.9572 133 L 5.1194 8.4688 127.7051 53.3845 44.4373 175.0936 134 E 4.9390 9.0523 125.5445 54.9419 32.6266 175.0917 135 I 4.7255 8.0274 121.1937 59.8070 41.4697 174.2295 136 N 4.7310 8.4934 122.8685 51.3580 40.0861 174.5534 137 V 4.2657 7.9049 122.1935 60.3138 34.5428 174.4260 138 D 4.3437 8.7290 126.3924 54.3635 41.4068 177.2635 139 G 3.6867 8.7881 115.7447 48.6052 0.0000 174.4144 140 E 4.0589 8.3390 118.3968 58.9649 30.0515 177.7212 141 D 4.6239 7.9900 120.0576 52.9967 38.5683 176.2672 142 T 3.8918 7.8863 120.7983 66.3788 68.9615 175.3949 143 D 4.3240 8.0163 119.9831 57.1824 40.8479 178.5283 144 A 3.7560 8.1316 121.1601 55.1572 18.3663 179.6929 145 R 3.9904 8.1185 116.6655 59.5960 30.1845 179.2954 146 R 3.8852 8.2065 118.3018 59.2481 29.8836 178.1051 147 F 4.0128 7.9197 119.2327 61.7959 39.6435 176.5070 148 Y 4.2841 8.1019 116.3318 61.0741 37.4172 178.1915 149 E 4.5082 8.7054 119.9806 58.6110 29.6373 178.7096 150 A 4.2556 8.0415 119.3761 53.4355 18.5024 177.9725 151 R 4.4348 7.8918 116.3707 55.8459 30.8199 176.9181 152 G 3.8850 8.6736 104.9875 45.3227 0.0000 174.0807 153 F 4.5008 8.0290 118.3230 56.4099 40.3696 174.6968 154 T 4.7170 8.2480 117.3164 60.4933 70.2930 173.1946 155 N 4.9317 8.8155 121.9673 52.5661 38.1301 174.5240 156 T 4.6729 7.4512 108.6291 59.6644 71.5720 173.9093 157 E 4.2050 8.5015 123.0867 55.6041 30.4418 176.0205 158 P 4.2449 0.0000 0.0000 65.9349 31.3179 178.2980 159 N 4.9033 8.0185 112.7462 53.2751 39.1256 175.0174 160 G 4.2079 7.6615 106.2524 44.0754 0.0000 174.7252 161 T 4.0317 8.3012 118.4043 65.2762 68.9279 174.8734 162 E 4.8750 7.5459 116.2486 53.2864 33.6414 175.4095 163 P 4.7388 0.0000 0.0000 61.8669 30.5625 175.9618 *165 L 4.1327 8.2112 122.3489 55.8208 42.7912 175.2509 166 Y 4.6567 8.5129 122.7321 56.4334 39.8243 174.3430 167 Y 4.6279 8.1770 124.4395 56.2756 40.8533 174.3754 168 Y 4.7948 7.7540 119.4030 55.4149 41.2696 174.3922 169 R 4.3860 8.2851 119.8524 54.5266 32.8638 174.5236 170 E 4.3847 8.8635 125.0629 56.1142 30.4658 176.7353 171 L 4.3777 8.3768 121.4289 54.9912 42.3982 176.4144 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 16 D 8.36 4.69 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.02 4.50 0.00 2.65 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 18 S 8.31 4.26 0.00 4.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.33 4.17 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 20 S 8.96 4.15 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 21 V 6.99 4.47 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 0.75 0.00 0.00 0.93 0.00 0.00 22 E 8.70 4.37 0.00 1.96 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 2.28 2.24 0.00 23 V 8.03 4.33 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 0.85 0.00 0.00 0.94 0.00 0.00 24 P 0.00 4.71 0.00 2.00 2.08 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 25 R 8.91 4.76 0.00 1.83 2.01 0.00 2.78 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 26 R 8.49 4.64 0.00 1.86 1.88 0.00 3.24 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 27 A 9.02 4.50 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 28 T 9.20 4.53 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 1.27 0.00 0.00 29 P 0.00 4.17 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 30 A 7.52 4.10 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 31 D 8.18 4.65 0.00 2.84 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 32 A 7.93 3.98 1.38 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 0.00 0.00 0.00 33 A 8.00 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.77 3.81 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 1.25 0.00 0.00 35 V 7.93 3.76 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 0.82 0.00 0.00 0.99 0.00 0.00 36 A 8.25 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 4.18 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.34 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 *39 L 7.83 4.59 0.00 2.03 1.86 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.61 4.15 0.00 3.38 3.55 0.00 5.78 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 41 D 8.63 4.36 0.00 2.74 2.61 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 42 F 8.30 4.10 0.00 3.11 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 43 N 8.37 4.42 0.00 3.08 3.11 0.00 0.00 6.84 7.15 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 44 T 8.15 3.84 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 1.06 0.00 0.00 45 E 8.34 3.71 0.00 1.85 1.79 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 1.47 1.96 0.00 46 F 7.71 4.74 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.76 3.81 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 0.00 0.00 0.00 48 A 8.03 4.64 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 49 P 0.00 4.49 0.00 2.20 2.08 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 50 T 7.86 4.64 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 1.08 0.00 0.00 51 P 0.00 4.53 0.00 2.12 2.17 0.00 3.78 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 2.06 2.10 0.00 52 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.31 3.95 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 1.16 0.00 0.00 54 D 8.05 4.31 0.00 2.71 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 55 E 8.14 3.92 0.00 2.05 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 0.00 2.40 2.42 0.00 56 L 8.01 3.98 0.00 1.91 1.73 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.53 4.05 1.38 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 0.00 0.00 0.00 58 S 8.31 4.02 0.00 3.92 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 59 R 8.14 4.01 0.00 2.02 2.06 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 60 L 8.52 4.05 0.00 1.88 1.71 1.02 0.75 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 61 S 8.17 4.15 0.00 3.98 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 62 H 7.83 4.33 0.00 3.44 3.39 0.00 5.63 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 63 L 8.06 4.04 0.00 1.71 1.74 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.19 4.16 0.00 1.68 1.73 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.84 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.77 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 0.00 0.00 0.00 67 E 8.47 4.52 0.00 1.86 1.79 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 2.16 2.16 0.00 68 D 8.05 4.71 0.00 2.65 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 69 V 7.82 4.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 70 V 9.12 4.54 2.31 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 0.99 0.00 0.00 1.01 0.00 0.00 71 V 8.39 4.86 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 1.04 0.00 0.00 0.91 0.00 0.00 72 L 8.81 5.21 0.00 1.64 1.56 0.96 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.17 5.23 0.00 1.53 1.56 0.94 0.88 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 74 A 9.26 4.91 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 75 G 9.68 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.20 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 2.19 2.34 0.00 77 P 0.00 4.50 0.00 2.23 2.05 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 78 P 0.00 4.87 0.00 2.26 2.15 0.00 3.34 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 2.03 1.95 0.00 79 T 8.85 4.72 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 1.30 0.00 0.00 80 G 8.02 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.81 5.31 0.00 1.85 1.75 0.66 0.84 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 82 A 8.99 5.11 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 83 V 8.61 4.66 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 0.90 0.00 0.00 0.73 0.00 0.00 84 L 9.11 5.31 0.00 1.60 1.24 1.02 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.74 5.35 0.00 3.83 4.05 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 86 F 9.11 5.32 0.00 2.85 2.96 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 87 R 8.69 4.79 0.00 1.89 2.00 0.00 2.80 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 88 P 0.00 4.96 0.00 1.98 2.06 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 89 N 8.39 5.02 0.00 2.88 2.88 0.00 0.00 6.88 7.71 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 90 V 8.34 3.45 1.52 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 0.55 0.00 0.00 -0.23 0.00 0.00 91 W 7.82 4.72 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.50 4.95 0.00 3.05 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.37 0.00 2.23 2.23 0.00 3.97 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 2.08 2.03 0.00 94 G 8.06 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.74 0.00 2.40 2.33 0.00 3.77 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 2.24 2.04 0.00 96 V 8.83 4.39 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 0.86 0.00 0.00 0.75 0.00 0.00 97 A 8.43 4.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.04 4.65 1.90 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 1.15 0.74 0.91 0.00 0.00 99 L 8.65 4.37 0.00 1.51 1.40 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.63 4.51 0.00 2.64 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 0.00 101 E 7.69 4.60 0.00 1.38 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 0.00 0.00 0.00 2.04 1.76 0.00 102 L 8.37 4.77 0.00 1.57 1.52 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.94 4.32 0.00 2.33 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.62 4.92 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 0.70 0.00 0.00 0.75 0.00 0.00 105 R 8.71 4.35 0.00 1.95 1.94 0.00 3.09 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 106 P 0.00 4.43 0.00 2.20 2.08 0.00 3.91 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 107 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 0.00 108 R 8.72 3.92 0.00 1.87 2.02 0.00 3.13 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 109 R 7.96 3.97 0.00 1.89 1.94 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 110 G 8.03 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 0.00 0.00 0.00 0.00 111 H 8.36 4.06 0.00 3.34 3.49 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.15 3.94 0.00 2.09 2.12 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 113 L 8.06 4.13 0.00 1.93 1.73 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.61 3.56 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 0.00 0.00 0.00 115 S 8.60 4.23 0.00 4.11 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 0.00 116 A 8.20 4.04 1.41 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 0.00 117 L 8.49 3.98 0.00 1.85 1.76 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.40 4.02 0.00 2.06 1.93 1.10 1.43 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 0.00 119 A 8.20 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.20 4.00 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 0.00 121 S 8.39 4.12 0.00 4.10 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 0.00 122 C 8.43 4.25 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.19 3.65 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 0.00 0.00 0.00 124 L 8.12 4.05 0.00 1.83 1.94 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.08 3.92 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 1.01 0.00 0.00 0.98 0.00 0.00 126 R 8.24 4.13 0.00 2.15 1.98 0.00 3.19 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 127 S 8.33 4.22 0.00 4.04 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 0.00 128 R 7.65 4.42 0.00 2.04 1.89 0.00 3.18 0.00 0.00 2.90 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.28 0.00 129 G 8.10 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.13 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.28 4.64 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 0.00 132 L 7.33 4.48 0.00 1.41 1.11 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.47 5.12 0.00 1.60 1.49 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 134 E 9.05 4.94 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 135 I 8.03 4.73 1.38 0.00 0.00 -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 0.86 0.18 0.42 0.00 0.00 136 N 8.49 4.73 0.00 2.19 2.02 0.00 0.00 6.68 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 0.00 137 V 7.90 4.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.79 0.00 0.00 138 D 8.73 4.34 0.00 2.67 2.52 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 0.00 139 G 8.79 3.69 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 0.00 0.00 0.00 140 E 8.34 4.06 0.00 2.52 2.03 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 2.31 1.87 0.00 141 D 7.99 4.62 0.00 2.68 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 0.00 142 T 7.89 3.89 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 1.22 0.00 0.00 143 D 8.02 4.32 0.00 2.62 2.66 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 0.00 0.00 0.00 0.00 144 A 8.13 3.76 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 3.99 0.00 2.05 2.06 0.00 3.21 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 146 R 8.21 3.89 0.00 1.98 2.10 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 147 F 7.92 4.01 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 8.10 4.28 0.00 3.00 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 0.00 149 E 8.71 4.51 0.00 2.04 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 2.59 2.44 0.00 150 A 8.04 4.26 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 7.89 4.43 0.00 1.72 1.92 0.00 2.21 0.00 0.00 2.68 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.26 0.00 152 G 8.67 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 0.00 153 F 8.03 4.50 0.00 3.27 3.01 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 0.00 154 T 8.25 4.72 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 1.24 0.00 0.00 155 N 8.82 4.93 0.00 2.87 2.93 0.00 0.00 5.85 7.71 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 0.00 156 T 7.45 4.67 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 1.30 0.00 0.00 157 E 8.50 4.21 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.90 0.00 158 P 0.00 4.24 0.00 2.02 2.13 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 159 N 8.02 4.90 0.00 2.69 2.81 0.00 0.00 6.69 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 0.00 160 G 7.66 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 0.00 0.00 0.00 0.00 161 T 8.30 4.03 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 1.22 0.00 0.00 162 E 7.55 4.87 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 163 P 0.00 4.74 0.00 2.09 1.99 0.00 3.73 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 2.05 2.14 0.00 *165 L 8.21 4.13 0.00 1.89 1.63 1.03 0.76 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 0.00 166 Y 8.51 4.66 0.00 3.06 2.84 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 0.00 167 Y 8.18 4.63 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 168 Y 7.75 4.79 0.00 3.04 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 0.00 169 R 8.29 4.39 0.00 1.66 1.78 0.00 3.20 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 170 E 8.86 4.38 0.00 2.08 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 2.47 2.63 0.00 171 L 8.38 4.38 0.00 1.61 1.53 0.94 0.85 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 * Residues marked with a * may have inaccurate shift predictions.