NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2519 7.8827 121.4484 61.2340 38.6009 173.8134 17 V 4.2955 8.7200 126.4533 61.9300 32.5611 174.5442 18 G 3.9977 8.4448 114.0394 46.6279 0.0000 173.6069 19 G 4.2416 7.7778 110.3077 44.4778 0.0000 172.7928 20 Y 4.9811 8.1016 117.8053 55.2785 42.2254 175.0805 21 T 4.1142 8.5758 117.4893 63.9882 68.4456 175.1408 22 C 4.1757 8.5822 125.4729 59.9626 35.0484 175.4893 23 G 4.0292 8.4144 105.6143 44.7653 0.0000 172.6757 24 A 4.3092 8.4248 125.5609 53.4381 18.7098 176.9807 25 N 4.2605 8.8324 119.3463 54.5446 36.1047 175.2956 26 T 4.2413 7.6107 107.3435 62.4930 69.8525 175.2547 27 V 4.0611 7.0303 122.2669 60.2890 31.3519 173.5193 28 P 4.5016 0.0000 0.0000 63.9796 32.1808 178.1942 29 Y 4.9531 6.8354 115.9547 56.8169 38.8485 174.6991 30 Q 4.5487 7.4131 123.6099 56.2987 29.5091 175.5378 31 V 4.8618 9.0736 119.3575 59.6799 35.8752 174.1944 32 S 4.9285 8.7296 117.3585 56.6501 64.6178 172.7493 33 L 4.6209 8.5103 127.7949 53.6104 43.0781 175.0944 34 N 5.8449 9.0031 122.5667 49.9885 42.0216 174.9661 *37 S 4.1900 8.4362 120.8375 58.3803 64.1392 174.4953 38 G 3.9356 8.8564 108.2495 46.1833 0.0000 172.9720 39 Y 4.5185 6.3557 112.9052 56.0571 40.8422 173.0088 40 H 4.4669 8.9528 122.0000 56.6726 30.3084 174.8229 41 F 5.0599 7.8664 119.1816 56.5257 39.4816 173.7724 42 C 4.7841 6.7682 114.7013 56.1891 44.5292 173.7215 43 G 4.2065 8.8984 110.0944 45.9970 0.0000 172.1935 44 G 4.5773 8.1090 105.9110 46.3938 0.0000 172.5933 45 S 5.3959 8.9158 115.6900 56.3922 66.6077 173.7421 46 L 4.7711 9.2452 128.2350 54.9834 42.4095 177.1196 47 I 4.4933 8.6629 119.4834 60.8712 38.8313 174.3400 48 N 4.7303 7.5662 117.4136 52.2590 39.5703 174.9120 49 S 4.3194 8.6807 111.7086 60.6260 63.3265 175.3366 50 Q 4.6090 8.8651 119.0360 55.3298 30.3672 174.8958 51 W 5.5293 8.1065 116.7384 54.7453 33.4544 174.3488 52 V 4.9229 9.1586 123.7635 61.1681 34.2915 174.2205 53 V 4.7274 8.8289 127.4228 62.1647 33.1662 174.8927 54 S 4.7846 9.0020 120.8484 57.4593 66.3709 172.1964 55 A 4.4842 8.5357 121.3432 51.0843 19.6648 178.5894 56 A 3.8341 8.2988 124.3310 55.2718 18.4392 179.3126 57 H 4.5209 8.4347 109.9179 57.5860 28.6585 175.3768 58 C 4.7011 7.8292 117.1148 57.1365 40.4398 173.2428 59 Y 4.2181 7.7959 122.6152 57.7473 38.7481 175.2411 60 K 3.3530 7.1693 123.8540 55.5164 34.9702 174.9775 61 S 4.2768 7.9524 114.6386 58.6475 64.0400 173.3184 62 G 3.7288 8.4080 106.4787 46.7557 0.0000 173.8336 63 I 4.0788 7.5933 120.0362 60.5846 38.8512 174.9715 64 Q 4.6921 8.9760 128.4618 54.3293 31.2427 174.1915 65 V 4.2543 8.7157 127.1421 61.8638 33.5296 174.6246 66 R 5.0865 8.9480 127.3057 54.7572 32.3092 175.0779 67 L 4.7408 9.1491 124.9124 52.7417 44.6995 177.7733 *69 G 3.9617 8.2802 107.9313 45.3569 0.0000 172.6660 70 E 4.4031 8.2239 118.6360 55.4294 29.9868 173.8695 71 D 4.8316 8.1150 118.6730 55.1750 44.2961 174.7767 72 N 4.9420 8.4527 119.2289 53.2965 39.4570 175.8234 73 I 3.9939 8.4292 119.5365 62.0475 37.9009 176.1581 74 N 4.8474 8.6512 118.0030 52.9993 39.2165 174.5976 75 V 4.3462 7.4295 117.9380 60.7982 34.4799 174.8595 76 V 4.1290 8.4750 126.8449 62.6128 31.3770 175.1662 77 E 4.4621 9.3834 127.0209 55.2874 30.7348 176.5182 78 G 3.9121 7.9027 105.5959 45.3983 0.0000 174.2225 79 N 4.9877 8.1451 116.0993 52.8751 40.3899 174.1988 80 E 4.6164 8.1048 118.5389 56.4607 30.7343 176.2408 81 Q 4.4514 8.7786 121.1081 54.1894 32.4912 174.2154 82 F 5.5988 8.8151 122.9091 56.0078 40.9448 175.3053 83 I 4.6556 8.8512 124.8247 59.3232 40.9258 175.4656 84 S 4.6914 8.7587 122.8593 58.3331 64.1035 173.5294 85 A 4.5820 8.6146 125.9699 52.2072 18.2490 177.8497 86 S 4.5539 8.7938 116.7278 59.6692 64.5481 174.5232 87 K 4.5309 7.4658 116.9515 56.0466 35.1741 174.3604 88 S 5.3247 8.8685 117.7901 57.0011 65.9884 173.9020 89 I 4.5837 9.1905 124.2968 59.3483 39.8380 174.9966 90 V 4.0829 8.4383 127.3177 62.4436 32.4958 175.1771 91 H 3.5818 8.7247 127.0264 55.7941 30.0654 174.3871 92 P 4.2631 0.0000 0.0000 65.3774 31.1350 177.1650 93 S 4.6808 7.8977 112.2601 57.9602 62.9382 173.1794 94 Y 4.3560 8.0066 123.3069 57.9398 38.9993 174.5980 95 N 4.7543 8.4190 125.6577 51.4491 40.3237 175.1165 96 S 3.9017 7.7472 119.9105 59.6221 63.8452 175.3931 97 N 4.3375 8.2250 119.2173 56.0907 38.3337 176.2667 98 T 3.9213 7.8013 105.1065 61.0030 69.7177 175.0067 99 L 3.7475 7.7609 120.4640 55.3637 40.0373 173.9205 100 N 4.3992 7.7948 118.1534 54.8013 39.5234 174.5790 101 N 4.8344 8.6977 120.6197 54.3509 35.7081 175.6073 102 D 4.6535 7.8571 117.7378 52.8224 39.7117 174.8887 103 I 4.7971 7.0558 120.7458 59.4768 42.3088 172.9480 104 M 5.4821 9.0927 126.8522 54.4593 36.2852 173.1202 105 L 5.4276 9.3388 125.0693 53.2525 44.9671 175.4552 106 I 5.0321 9.0627 123.0816 59.4997 40.7379 174.2780 107 K 3.8319 8.7859 129.0027 54.6442 33.5276 175.4255 108 L 4.5954 8.4121 127.4431 54.0478 42.4682 178.2436 109 K 4.1457 8.8861 123.2230 58.8444 32.4786 177.4007 110 S 4.6104 7.4156 109.0691 55.8286 66.1341 173.3343 111 A 4.4097 8.3943 123.3137 51.6688 18.7174 177.5067 112 A 4.2402 8.9939 124.7789 51.9317 19.4731 177.1680 113 S 4.3496 9.1301 116.5950 57.8192 62.9682 173.5363 114 L 4.8497 8.3698 127.6032 53.3342 42.4264 175.4739 115 N 4.7253 8.3093 118.8158 52.5660 40.0469 175.0421 116 S 4.2683 8.6142 113.1350 60.9205 63.0799 175.6853 117 R 4.1773 7.4850 118.7685 56.9236 30.5507 176.5173 118 V 4.4870 8.1600 117.4629 60.9195 33.6926 173.7429 119 A 5.1186 8.4841 128.2822 50.3615 22.8351 175.5309 120 S 4.8928 8.7772 114.9682 58.3517 64.4252 173.0345 121 I 4.4255 8.2464 121.6523 59.0665 39.3609 175.5863 122 S 4.3568 8.4413 124.5684 58.5315 63.9289 173.9705 123 L 4.2161 8.3748 123.3433 53.4408 42.3987 175.3063 124 P 4.4690 0.0000 0.0000 63.1160 32.0489 176.3512 125 T 4.1939 8.2613 109.1816 62.3909 70.0828 174.6065 *127 S 4.4843 7.5824 114.8106 57.9787 64.0349 174.2242 128 C 4.3867 8.4588 118.6475 56.8865 40.6658 173.5001 129 A 4.4229 8.0315 124.8728 51.5661 19.7807 177.0852 130 S 4.4964 8.0319 114.8056 56.7398 65.1751 173.6550 *132 A 4.3573 8.2359 124.5823 53.5833 19.2765 176.9654 133 G 4.0013 8.9458 110.9210 45.3813 0.0000 174.3619 134 T 3.9670 7.7390 117.5090 63.8680 69.2998 173.6911 135 Q 4.6554 8.5964 125.3739 55.4475 30.2139 175.6922 136 C 5.2114 9.2356 119.5350 55.2911 46.9112 172.4102 137 L 5.1772 9.1346 122.5991 53.6015 43.8432 174.9979 138 I 5.2950 9.1300 127.5771 58.8946 39.8949 174.9144 139 S 4.8771 8.5715 119.3026 56.4626 66.4849 173.1611 140 G 3.7452 7.4935 108.1053 46.3305 0.0000 172.9342 141 W 4.6027 8.6083 116.9109 56.3248 29.2474 177.0656 142 G 4.1524 8.5683 109.6856 44.2767 0.0000 173.4054 143 N 3.7377 8.6096 118.4737 54.1858 38.9645 174.6826 144 T 5.0720 8.1395 113.1738 60.5504 69.4977 174.3806 145 K 4.6369 7.8055 121.3890 54.8226 34.6708 176.2642 146 S 4.4024 8.5671 116.3712 59.5653 63.8233 174.4185 147 S 4.4989 7.7301 116.5902 57.6158 65.6652 174.8994 148 G 3.8597 9.6880 114.6309 45.0613 0.0000 171.6581 149 T 4.7777 8.0744 114.4518 62.2979 72.7160 173.9325 150 S 4.4883 9.3108 121.2991 57.4922 66.1303 172.0381 151 Y 4.8445 8.6704 125.4586 55.5271 39.3342 174.0817 152 P 4.6338 0.0000 0.0000 62.4374 32.8189 176.1850 153 D 4.5628 8.8155 120.0856 56.8952 41.2520 176.9408 154 V 5.1232 7.4358 110.1272 58.6964 34.0904 175.8970 155 L 3.1703 8.4050 125.1010 54.9217 43.0045 176.0005 156 K 4.8808 8.1931 124.9549 54.9244 35.1816 174.5906 157 C 5.2608 8.4984 119.2988 55.1619 42.6738 173.0091 158 L 5.0941 8.7321 122.9791 53.7216 45.4494 174.7716 159 K 5.1304 9.0624 125.5554 55.5268 33.3840 175.8902 160 A 4.8919 9.2206 125.4189 50.1756 23.1621 173.4618 161 P 5.0335 0.0000 0.0000 61.6837 33.8969 175.3327 162 I 4.2790 8.4087 122.9056 61.6784 38.0118 175.4648 163 L 4.9284 8.7174 127.0155 52.8406 43.6136 176.9269 164 S 4.2391 8.5326 115.5238 58.4228 63.7166 174.8102 165 D 4.3872 8.9078 121.6918 57.7420 40.8373 178.9645 166 S 4.1488 8.0480 114.4367 61.5375 63.1016 176.5088 167 S 4.1171 8.2417 118.0549 61.0405 62.8578 175.7019 168 C 4.3345 8.4421 122.1881 59.5793 43.2434 175.7661 169 K 4.0344 8.1878 119.0376 59.6173 31.6731 179.2845 170 S 4.2708 8.1996 114.6328 61.4411 62.7743 176.2595 171 A 4.0479 7.9798 122.8458 53.8836 19.6695 177.3675 172 Y 4.8581 7.7612 113.6958 55.0392 38.3690 172.7170 173 P 4.4734 0.0000 0.0000 64.1857 32.3035 177.3747 174 G 4.0307 9.0838 109.8448 45.9306 0.0000 173.6736 175 Q 4.5226 8.0688 116.2111 55.1751 31.0195 175.4561 176 I 4.3888 7.9246 119.0985 59.9864 38.1810 175.6006 177 T 4.4956 8.2667 116.1883 59.9018 70.5248 175.4698 178 S 4.3803 8.5539 114.9976 60.2171 63.1261 174.3815 179 N 5.0097 8.3400 118.8806 53.3163 38.5855 173.7704 180 M 5.5612 7.9657 116.7678 53.7494 36.1298 174.5581 181 F 5.1301 8.8437 115.3825 55.7240 42.2091 172.6158 182 C 5.4787 8.9820 116.4027 55.9268 40.9300 172.6325 183 A 5.0356 9.4655 122.5389 50.8413 22.4589 174.2674 183A G 3.9230 7.5216 105.4996 44.3871 0.0000 175.0366 184 Y 4.5760 8.5451 122.0886 56.1889 41.3191 176.0117 185 L 4.1315 8.7100 125.8592 57.2845 42.0079 179.0587 186 E 4.1425 8.1863 115.4720 57.3989 29.8212 177.3763 187 G 3.8709 7.6424 105.5946 45.4648 0.0000 173.1470 187A G 3.9728 9.8116 106.7792 44.7386 0.0000 173.3758 188 K 5.0000 7.3802 117.3280 55.4594 35.4366 175.0064 189 D 4.6971 8.8490 123.6345 53.4914 45.5722 174.9151 190 S 4.9274 8.2166 115.8764 58.4123 64.8193 171.6808 191 C 4.7542 9.2675 118.7277 55.4035 45.4835 172.3548 192 Q 4.2890 8.6457 119.0559 58.0901 28.4598 178.5352 193 G 4.2498 9.2408 110.6961 45.6766 0.0000 173.9426 194 D 4.6566 8.5338 119.0809 55.7598 41.5608 176.5681 195 S 4.4138 8.0259 114.8461 60.1554 63.5203 175.5010 196 G 3.9401 9.0216 113.3443 46.3618 0.0000 173.6478 197 G 4.5584 7.9264 107.5687 44.6441 0.0000 171.1562 198 P 5.1508 0.0000 0.0000 62.2777 33.5409 175.6189 199 V 4.6120 8.7655 121.5118 61.4057 34.1087 174.1595 200 V 4.8934 8.7209 128.5903 61.2626 34.3824 173.6885 201 C 5.0744 8.8751 124.5037 55.6635 44.0125 174.5575 202 S 3.6009 9.8970 120.7589 59.7074 60.1568 173.3014 203 G 3.9134 8.4854 104.2603 45.5987 0.0000 173.8645 204 K 4.6880 7.5818 117.9165 53.0628 34.9761 175.5083 *209 L 4.3267 8.2617 123.0926 55.4558 41.9933 175.7218 210 Q 4.5196 8.8485 125.9093 56.5828 30.7787 175.9042 211 G 5.2393 8.0434 104.5107 45.6238 0.0000 171.4274 212 I 5.2060 8.1986 120.0681 58.8008 41.0115 175.1306 213 V 3.7305 8.9939 127.4298 64.1692 31.8120 174.2465 214 S 4.9481 8.3701 120.6494 58.3577 64.2651 173.7860 215 W 4.8127 7.3554 113.9703 55.6240 31.9292 172.2621 216 G 3.9926 8.3527 106.8253 46.2511 0.0000 172.9767 217 S 4.6189 8.5148 115.4573 57.0348 62.6938 172.5553 *219 G 4.4888 8.0873 118.3475 45.6750 0.0000 171.3837 220 C 4.9440 8.0997 116.5660 56.4198 43.4020 173.9068 220A A 3.9493 9.3952 125.8019 53.2642 16.7270 177.1350 221 Q 4.5675 7.3278 118.0709 56.0015 29.8337 175.8392 222 K 4.1641 8.4837 122.0498 58.2901 32.5225 176.2119 223 N 4.3117 9.2605 121.8704 54.0197 36.8309 175.3705 224 K 4.2082 7.6468 116.9862 53.7863 32.4247 173.7005 225 P 4.6379 0.0000 0.0000 61.8357 33.2679 177.2872 226 G 3.5572 8.4333 106.0326 46.2050 0.0000 172.7621 227 V 4.4634 7.6236 122.7073 60.6900 34.0212 174.0812 228 Y 4.9797 8.1890 124.3211 56.0003 42.2492 174.9751 229 T 4.3295 8.6480 120.1693 63.7066 70.0273 174.2179 230 K 5.1504 9.3371 128.0269 55.2530 31.3833 177.1974 231 V 3.9688 8.8733 126.4195 65.8465 31.4138 174.8726 232 C 4.3133 8.3623 112.7735 58.5783 41.4028 175.1522 233 N 4.1351 8.1209 117.4025 54.8401 38.4070 175.6105 234 Y 4.7706 7.9816 117.3647 57.6064 38.8052 177.5046 235 V 3.6809 7.8028 120.7650 65.9522 31.5990 177.5869 236 S 4.0674 8.0939 112.3897 61.1591 62.2730 175.6884 237 W 4.2004 8.3389 130.4819 60.5647 30.4260 177.6862 238 I 2.9840 8.3186 120.0000 64.1590 36.5811 178.6021 239 K 3.7794 8.1184 119.6187 59.4359 31.6711 179.5213 240 Q 3.9354 7.9327 116.9026 59.3931 28.7565 178.3605 241 T 3.7135 7.6231 117.8732 66.3490 68.2359 176.7067 242 I 2.7495 7.2093 121.5530 63.9560 36.7707 178.3572 243 A 4.0642 7.7124 120.3327 54.0292 18.1669 178.2231 244 S 4.7025 7.4684 110.7403 58.2178 63.8906 174.0315 245 N 4.6967 8.0471 124.2359 53.5997 39.3761 174.1337 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 I 7.88 4.25 1.79 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 1.39 0.53 0.88 0.00 0.00 17 V 8.72 4.30 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 0.92 0.00 0.00 0.95 0.00 0.00 18 G 8.44 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 0.00 0.00 0.00 19 G 7.78 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 0.00 0.00 0.00 0.00 20 Y 8.10 4.98 0.00 2.95 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 21 T 8.58 4.11 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 22 C 8.58 4.18 0.00 2.72 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 23 G 8.41 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.42 4.31 1.28 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 0.00 0.00 25 N 8.83 4.26 0.00 2.89 2.92 0.00 0.00 7.11 7.54 0.00 0.00 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 T 7.61 4.24 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 1.23 0.00 0.00 27 V 7.03 4.06 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 0.31 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.50 0.00 2.38 2.40 0.00 3.65 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 2.20 2.00 0.00 29 Y 6.84 4.95 0.00 3.27 3.42 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 30 Q 7.41 4.55 0.00 1.79 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 1.90 2.49 0.00 31 V 9.07 4.86 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 0.85 0.00 0.00 1.01 0.00 0.00 32 S 8.73 4.93 0.00 3.00 3.32 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 33 L 8.51 4.62 0.00 0.42 1.05 0.84 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.00 5.84 0.00 2.51 2.47 0.00 0.00 6.78 8.02 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 *37 S 8.44 4.19 0.00 3.69 3.67 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 38 G 8.86 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 6.36 4.52 0.00 3.21 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 40 H 8.95 4.47 0.00 2.88 3.20 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.87 5.06 0.00 3.13 3.29 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 42 C 6.77 4.78 0.00 2.19 2.82 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 43 G 8.90 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 44 G 8.11 4.58 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 0.00 0.00 0.00 45 S 8.92 5.40 0.00 3.81 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 46 L 9.25 4.77 0.00 1.87 1.68 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.66 4.49 1.90 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 1.54 0.93 0.95 0.00 0.00 48 N 7.57 4.73 0.00 2.99 3.01 0.00 0.00 6.01 7.64 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 49 S 8.68 4.32 0.00 4.19 4.20 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 50 Q 8.87 4.61 0.00 2.31 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 51 W 8.11 5.53 0.00 3.37 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 52 V 9.16 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 1.10 0.00 0.00 0.99 0.00 0.00 53 V 8.83 4.73 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.01 0.00 0.00 54 S 9.00 4.78 0.00 3.91 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 55 A 8.54 4.48 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.30 3.83 0.32 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 57 H 8.43 4.52 0.00 3.38 3.59 0.00 5.55 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 58 C 7.83 4.70 0.00 3.23 3.32 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 59 Y 7.80 4.22 0.00 2.96 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 60 K 7.17 3.35 0.00 1.43 1.27 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 0.98 7.81 61 S 7.95 4.28 0.00 3.96 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 62 G 8.41 3.73 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 0.00 0.00 0.00 63 I 7.59 4.08 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.92 0.00 0.00 64 Q 8.98 4.69 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 65 V 8.72 4.25 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 0.99 0.00 0.00 0.90 0.00 0.00 66 R 8.95 5.09 0.00 1.68 1.80 0.00 2.67 0.00 0.00 2.56 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.21 0.00 67 L 9.15 4.74 0.00 1.64 1.62 1.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.28 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 0.00 0.00 0.00 70 E 8.22 4.40 0.00 2.17 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 2.53 2.08 0.00 71 D 8.12 4.83 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.45 4.94 0.00 2.82 2.81 0.00 0.00 7.20 8.62 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 73 I 8.43 3.99 1.43 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 -0.48 0.00 0.00 74 N 8.65 4.85 0.00 2.84 2.86 0.00 0.00 6.61 7.61 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 75 V 7.43 4.35 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 0.78 0.00 0.00 0.99 0.00 0.00 76 V 8.48 4.13 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 0.85 0.00 0.00 0.97 0.00 0.00 77 E 9.38 4.46 0.00 1.97 1.96 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 2.27 2.45 0.00 78 G 7.90 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 79 N 8.15 4.99 0.00 2.63 2.79 0.00 0.00 7.15 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 80 E 8.10 4.62 0.00 1.42 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 81 Q 8.78 4.45 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 82 F 8.82 5.60 0.00 2.82 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 83 I 8.85 4.66 1.87 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 1.24 0.85 0.91 0.00 0.00 84 S 8.76 4.69 0.00 3.75 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.61 4.58 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.79 4.55 0.00 3.79 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 87 K 7.47 4.53 0.00 1.83 1.88 0.00 1.61 0.00 0.00 1.91 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.42 7.81 88 S 8.87 5.32 0.00 3.96 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 89 I 9.19 4.58 2.07 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.06 1.17 0.00 0.00 90 V 8.44 4.08 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 0.71 0.00 0.00 0.83 0.00 0.00 91 H 8.72 3.58 0.00 2.87 3.05 0.00 5.65 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.26 0.00 2.15 2.17 0.00 2.38 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 93 S 7.90 4.68 0.00 3.93 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 94 Y 8.01 4.36 0.00 3.00 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 95 N 8.42 4.75 0.00 2.58 2.44 0.00 0.00 6.62 7.02 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 96 S 7.75 3.90 0.00 3.97 3.75 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 97 N 8.23 4.34 0.00 2.78 2.79 0.00 0.00 6.92 7.14 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 98 T 7.80 3.92 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 1.10 0.00 0.00 99 L 7.76 3.75 0.00 1.49 1.86 0.66 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.79 4.40 0.00 2.81 2.66 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.70 4.83 0.00 2.95 2.63 0.00 0.00 7.22 8.06 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 0.00 102 D 7.86 4.65 0.00 3.07 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 0.00 103 I 7.06 4.80 1.44 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 1.40 1.31 0.03 0.00 0.00 104 M 9.09 5.48 0.00 2.16 1.83 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 105 L 9.34 5.43 0.00 1.72 1.87 -0.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.06 5.03 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.89 0.00 0.00 107 K 8.79 3.83 0.00 0.79 1.05 0.00 1.15 0.00 0.00 1.32 0.00 0.00 2.63 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.70 0.21 7.81 108 L 8.41 4.60 0.00 1.50 1.55 0.96 0.80 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 0.00 109 K 8.89 4.15 0.00 1.63 1.83 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.53 7.81 110 S 7.42 4.61 0.00 3.95 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.39 4.41 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.99 4.24 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 0.00 113 S 9.13 4.35 0.00 3.88 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 0.00 114 L 8.37 4.85 0.00 1.69 1.60 0.96 1.07 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 0.00 115 N 8.31 4.73 0.00 2.93 2.91 0.00 0.00 6.75 7.75 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 0.00 116 S 8.61 4.27 0.00 3.90 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 0.00 117 R 7.49 4.18 0.00 2.00 1.99 0.00 3.22 0.00 0.00 3.16 7.39 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.58 4.48 0.00 4.00 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 0.00 128 C 8.46 4.39 0.00 2.94 2.99 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 0.00 129 A 8.03 4.42 1.05 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 0.00 130 S 8.03 4.50 0.00 3.82 3.73 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 *132 A 8.24 4.36 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 0.00 133 G 8.95 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 0.00 0.00 0.00 134 T 7.74 3.97 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 135 Q 8.60 4.66 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 136 C 9.24 5.21 0.00 2.84 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 0.00 137 L 9.13 5.18 0.00 1.75 1.58 1.00 1.17 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 0.00 138 I 9.13 5.30 1.89 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.64 1.03 0.00 0.00 139 S 8.57 4.88 0.00 3.56 3.59 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 0.00 140 G 7.49 3.75 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 0.00 0.00 0.00 141 W 8.61 4.60 0.00 3.16 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 0.00 142 G 8.57 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 0.00 0.00 0.00 143 N 8.61 3.74 0.00 2.23 2.60 0.00 0.00 7.13 7.28 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 0.00 144 T 8.14 5.07 4.20 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 1.27 0.00 0.00 145 K 7.81 4.64 0.00 1.86 1.84 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.26 1.28 7.81 146 S 8.57 4.40 0.00 4.26 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 0.00 147 S 7.73 4.50 0.00 3.82 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 0.00 148 G 9.69 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 0.00 0.00 0.00 149 T 8.07 4.78 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 150 S 9.31 4.49 0.00 3.82 3.59 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 0.00 151 Y 8.67 4.84 0.00 2.94 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 0.00 152 P 0.00 4.63 0.00 2.44 2.08 0.00 4.09 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 2.16 2.02 0.00 153 D 8.82 4.56 0.00 2.81 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.44 5.12 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 1.02 0.00 0.00 0.96 0.00 0.00 155 L 8.40 3.17 0.00 1.22 1.22 -0.74 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.19 4.88 0.00 1.65 1.50 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.46 7.81 157 C 8.50 5.26 0.00 1.45 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 0.00 0.00 0.00 158 L 8.73 5.09 0.00 1.72 1.48 1.04 1.15 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 0.00 159 K 9.06 5.13 0.00 1.80 1.82 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.66 7.81 160 A 9.22 4.89 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 0.00 161 P 0.00 5.03 0.00 2.01 2.08 0.00 3.07 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 162 I 8.41 4.28 1.89 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.52 0.81 0.00 0.00 163 L 8.72 4.93 0.00 1.64 1.60 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.53 4.24 0.00 4.00 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 0.00 165 D 8.91 4.39 0.00 2.84 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 0.00 166 S 8.05 4.15 0.00 4.10 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 0.00 167 S 8.24 4.12 0.00 4.09 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 0.00 168 C 8.44 4.33 0.00 3.21 3.38 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 0.00 169 K 8.19 4.03 0.00 1.80 1.92 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.55 1.67 7.81 170 S 8.20 4.27 0.00 4.01 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 0.00 171 A 7.98 4.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.76 4.86 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.47 0.00 2.09 2.05 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 174 G 9.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.07 4.52 0.00 2.46 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 176 I 7.92 4.39 1.98 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 1.84 1.07 1.00 0.00 0.00 177 T 8.27 4.50 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 178 S 8.55 4.38 0.00 4.01 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 0.00 179 N 8.34 5.01 0.00 3.08 3.10 0.00 0.00 6.63 7.81 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 0.00 180 M 7.97 5.56 0.00 1.88 2.11 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 181 F 8.84 5.13 0.00 3.06 3.06 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 0.00 182 C 8.98 5.48 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 9.47 5.04 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 183A G 7.52 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 0.00 184 Y 8.55 4.58 0.00 3.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.71 4.13 0.00 1.73 1.73 0.92 0.87 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 0.00 186 E 8.19 4.14 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 187 G 7.64 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 0.00 0.00 0.00 187A G 9.81 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 K 7.38 5.00 0.00 1.56 1.72 0.00 1.00 0.00 0.00 0.70 0.00 0.00 2.50 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.24 7.81 189 D 8.85 4.70 0.00 2.83 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 0.00 190 S 8.22 4.93 0.00 4.08 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 9.27 4.75 0.00 2.95 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 0.00 192 Q 8.65 4.29 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.24 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 193 G 9.24 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 0.00 0.00 0.00 0.00 194 D 8.53 4.66 0.00 2.94 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 0.00 195 S 8.03 4.41 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 G 9.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.93 4.56 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 0.00 198 P 0.00 5.15 0.00 2.34 2.39 0.00 3.85 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 2.18 2.20 0.00 199 V 8.77 4.61 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 0.84 0.00 0.00 0.49 0.00 0.00 200 V 8.72 4.89 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 0.66 0.00 0.00 0.64 0.00 0.00 201 C 8.88 5.07 0.00 2.78 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 0.00 202 S 9.90 3.60 0.00 3.94 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 0.00 203 G 8.49 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 0.00 204 K 7.58 4.69 0.00 1.72 1.64 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.40 7.81 *209 L 8.26 4.33 0.00 1.50 1.65 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.85 4.52 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.43 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 211 G 8.04 5.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.20 5.21 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 1.30 0.93 0.98 0.00 0.00 213 V 8.99 3.73 2.38 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 1.01 0.00 0.00 1.23 0.00 0.00 214 S 8.37 4.95 0.00 4.01 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 0.00 215 W 7.36 4.81 0.00 3.33 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 0.00 216 G 8.35 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 0.00 217 S 8.51 4.62 0.00 4.24 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 *219 G 8.09 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 C 8.10 4.94 0.00 2.95 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 220A A 9.40 3.95 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 0.00 221 Q 7.33 4.57 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 222 K 8.48 4.16 0.00 1.72 1.73 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.59 7.81 223 N 9.26 4.31 0.00 2.82 2.83 0.00 0.00 6.79 7.64 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 0.00 224 K 7.65 4.21 0.00 1.85 1.76 0.00 1.61 0.00 0.00 1.12 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.47 7.81 225 P 0.00 4.64 0.00 2.13 2.11 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 226 G 8.43 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 0.00 227 V 7.62 4.46 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 -0.75 0.00 0.00 228 Y 8.19 4.98 0.00 1.46 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 0.00 0.00 0.00 229 T 8.65 4.33 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 230 K 9.34 5.15 0.00 2.13 1.92 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.63 7.81 231 V 8.87 3.97 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 1.22 0.00 0.00 1.13 0.00 0.00 232 C 8.36 4.31 0.00 3.16 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 N 8.12 4.14 0.00 2.22 2.37 0.00 0.00 6.86 7.61 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 0.00 234 Y 7.98 4.77 0.00 3.27 3.30 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 0.00 235 V 7.80 3.68 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 1.13 0.00 0.00 1.03 0.00 0.00 236 S 8.09 4.07 0.00 3.96 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 0.00 237 W 8.34 4.20 0.00 3.52 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 0.00 238 I 8.32 2.98 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.86 0.71 0.00 0.00 239 K 8.12 3.78 0.00 1.72 1.77 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.55 7.81 240 Q 7.93 3.94 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 241 T 7.62 3.71 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 0.71 0.00 0.00 242 I 7.21 2.75 1.41 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.10 0.63 0.00 0.00 243 A 7.71 4.06 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 0.00 244 S 7.47 4.70 0.00 3.77 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 0.00 245 N 8.05 4.70 0.00 2.92 3.01 0.00 0.00 6.73 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.