NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.1227 8.3149 120.1208 56.6957 33.0447 177.1064 14 F 4.5927 8.6427 115.2336 55.8559 39.1467 171.1540 15 K 5.0547 9.6837 121.2626 54.3948 35.7796 174.4051 16 L 5.4378 9.2563 126.2590 52.8884 44.3885 175.8042 17 V 5.0842 8.9138 123.8074 60.0522 33.2720 174.5117 18 F 4.7839 9.3939 124.1725 56.1382 40.5616 174.9747 19 L 4.3513 10.0413 123.6401 52.1026 45.4369 175.6859 20 G 4.3018 6.5939 108.3272 43.9043 0.0000 172.7228 21 E 4.3697 8.3487 120.3660 55.7422 30.1915 176.6491 22 Q 4.0110 8.5107 121.6843 58.1093 29.4036 176.6870 23 S 4.0806 8.8597 118.8112 59.4331 60.0741 171.7092 24 V 3.8081 7.3904 114.4881 62.4012 31.6802 177.0192 25 G 4.2507 8.6198 108.8403 45.6315 0.0000 175.6868 26 K 3.9596 8.5891 120.7804 59.8367 31.9651 179.1249 27 T 3.8891 7.8051 115.1179 66.8434 68.3367 176.8165 28 S 4.2157 8.0194 116.5454 61.4557 62.9145 176.6057 29 L 4.0733 8.3428 122.1962 57.8074 41.3239 179.5874 30 I 3.5603 7.4878 119.6882 64.6426 37.0155 178.6465 31 T 3.7852 8.1843 116.9475 66.5155 68.2254 176.6489 32 R 4.1585 8.2963 122.2744 58.8667 29.9058 178.4135 33 F 4.1203 7.9397 119.1303 61.4337 39.4128 176.8196 34 M 3.5325 7.7826 117.2808 57.7913 31.7623 177.0340 35 Y 4.6157 7.5220 112.2736 56.6588 39.3870 175.0545 36 D 4.5338 8.0860 118.9672 54.9625 39.9963 172.6036 37 S 4.8477 7.5689 110.5355 56.7679 66.7266 172.7092 38 F 4.9289 8.5596 122.1417 56.7257 41.9923 172.8056 39 D 4.7072 7.8228 126.9830 52.4885 43.1758 175.6670 40 N 4.4151 8.1824 125.0132 53.4145 38.3396 175.7581 *49 D 4.7922 7.6107 118.5477 54.4104 43.4659 176.0621 50 F 4.0295 8.0794 120.7531 58.0132 40.2373 174.6446 51 L 4.6285 7.3340 127.0195 52.8800 45.0612 175.4825 52 S 4.9267 8.2233 117.7709 56.4713 66.3018 173.4021 53 K 4.4462 8.7151 122.2860 55.5394 35.9278 174.4237 54 T 4.8648 8.3682 123.7434 62.5253 69.9011 173.7122 55 M 4.8348 9.0060 125.8438 53.8483 36.0165 173.3689 56 Y 4.9674 8.2847 123.9078 56.3089 40.9485 174.6899 57 L 3.5283 7.4655 123.0492 55.5654 46.3193 174.1739 58 E 3.6442 9.4131 125.2291 58.0705 26.6867 174.1802 59 D 4.6708 8.5036 110.8776 54.7020 39.7621 174.1129 60 R 4.6011 7.5825 114.9313 55.7977 32.4649 173.0181 61 T 5.0644 8.1929 107.6429 60.0384 71.3632 174.1001 62 V 4.1439 8.6686 116.2748 59.5878 35.8069 174.7490 63 R 4.5419 8.3683 124.0775 55.2758 31.0908 175.6180 64 L 4.9478 8.8423 125.0483 53.0336 44.4154 175.2421 65 Q 4.7732 9.0190 124.8605 54.2248 31.2546 173.8929 66 L 5.2580 8.6158 126.7379 52.7920 44.0574 175.7903 67 W 4.9966 9.5569 123.9021 55.0863 31.5244 174.2369 68 D 5.2643 9.0510 124.8333 52.8751 42.3615 175.2793 69 T 4.1118 7.6937 111.1595 60.0452 71.3077 172.8545 70 A 4.1550 8.6498 123.9512 54.1334 19.8848 178.4381 *77 S 4.4234 7.6401 109.7437 57.4270 64.3771 174.7291 78 L 4.3318 7.7203 118.4394 56.7429 42.5452 178.5614 79 I 4.0485 8.2052 119.9401 64.3107 36.9424 176.1160 80 P 4.7357 0.0000 0.0000 65.0791 30.9571 178.8596 81 S 3.9808 7.8133 113.7591 61.6217 62.4812 176.1973 82 Y 3.6573 7.5090 117.5168 61.1791 37.8572 178.3274 83 I 3.9092 8.1538 120.8738 64.6218 36.9871 178.8056 84 R 3.9962 8.1564 118.0440 58.5762 29.9660 177.6368 85 D 4.6868 7.7145 115.5356 53.6679 41.7512 175.7830 86 S 5.0539 7.2273 115.6330 57.7849 64.7420 174.2269 87 T 4.2899 8.4890 114.6853 63.0053 70.3313 174.3337 88 V 5.0082 8.1925 122.5969 61.0017 35.2959 173.6996 89 A 5.0049 9.0061 129.4347 50.0770 21.8427 175.0275 90 V 4.2406 8.6133 123.6443 61.1299 33.4194 174.8047 91 V 4.4818 8.4071 129.8944 61.7143 32.7911 174.6445 92 V 5.0279 8.8802 129.1306 61.3730 34.1438 173.9384 93 Y 5.1172 8.8943 124.3489 55.4709 42.4972 173.0658 94 D 5.3211 9.1054 119.3959 52.2324 42.8702 177.0123 95 I 3.9502 8.7947 120.6246 63.0956 37.6090 177.1124 96 T 4.5486 8.5635 110.0378 60.6812 69.2316 174.3141 97 N 4.8986 8.4109 121.7339 51.5255 41.0059 174.2094 98 L 4.1100 8.5554 129.1391 58.0251 41.8779 178.9603 99 N 4.3777 8.3311 116.6679 56.6966 38.7323 176.8492 100 S 4.3112 8.6593 115.1588 61.4971 63.4444 176.0380 101 F 4.1679 8.2097 124.4481 60.9584 39.2067 177.0072 102 Q 3.7387 8.2949 119.3066 59.1146 28.7591 177.7691 103 Q 4.1472 8.2759 117.8302 57.5179 28.8197 178.2079 104 T 4.1652 7.6588 111.6719 64.8939 68.6491 176.6608 105 S 4.0533 7.5263 117.3265 61.0440 62.6739 176.4759 106 K 3.7436 7.7061 121.8723 59.3162 32.0151 178.7838 107 W 4.2987 7.7095 119.1112 59.8892 28.9626 178.6798 108 I 3.8267 8.1131 119.8446 64.4799 36.4744 178.2221 109 D 4.3633 8.3604 119.9200 57.4152 40.6099 178.4716 110 D 4.3474 8.3676 119.6177 57.3312 40.7894 179.0538 111 V 3.6119 7.8416 118.5544 66.2408 31.5917 178.2934 112 R 4.0933 8.1399 117.7331 59.6629 29.6416 179.2090 113 T 3.9544 7.9388 114.8004 66.4424 68.7545 176.3177 114 E 4.1857 8.2204 120.4207 58.7912 29.8601 178.4890 115 R 4.6095 8.6366 115.5413 53.9508 31.6101 177.2787 116 G 3.8788 8.8437 109.0796 47.0618 0.0000 175.8530 117 S 4.5088 8.7545 119.2454 58.0080 64.0622 173.8261 118 D 4.6441 7.5783 123.0971 52.0033 39.6251 175.1612 119 V 4.4793 6.7953 117.1759 61.2517 34.5405 173.7507 120 I 4.5041 8.2698 123.0111 59.7062 39.5971 174.6899 121 I 4.9362 8.3229 126.9691 59.5703 40.7163 174.0020 122 M 5.0277 8.6924 125.8376 53.6001 35.1402 173.7651 123 L 4.9422 9.1412 129.2682 54.1834 44.0374 175.1740 124 V 4.4166 9.2250 126.7273 61.0394 34.2987 174.5634 125 G 3.0909 8.5094 116.6914 44.7720 0.0000 172.3574 126 N 5.0964 8.4884 126.4454 52.2050 41.7253 174.3345 127 K 4.2829 8.7562 117.1740 58.1234 28.6652 178.7048 128 T 3.9361 7.8729 110.6075 64.0515 69.0669 175.0988 129 D 4.3292 7.9470 121.7746 55.7156 40.3933 176.4361 130 L 4.4016 7.7833 122.2285 53.6381 41.2625 177.8994 131 A 3.9245 7.8322 124.2854 55.5078 18.8374 179.1897 132 D 4.6460 8.0167 111.7316 55.4161 41.0735 176.2450 133 K 4.5921 8.0391 116.5056 56.4537 33.3889 175.7428 134 R 4.2337 7.7645 119.6647 56.8832 30.2873 176.3037 135 Q 4.5752 9.2843 122.2455 55.3258 31.2081 175.7028 136 I 4.4809 7.5486 118.2551 59.0152 39.8309 176.0894 137 T 4.1961 8.9754 116.7212 61.2497 70.8635 175.6300 138 I 3.9873 8.1984 121.3795 64.2773 38.0787 177.9366 139 E 3.9109 8.0954 119.1826 59.4200 29.3597 178.9996 140 E 4.0672 8.3290 118.8052 59.1202 29.4781 179.6761 141 G 3.4514 7.7928 105.6348 47.7946 0.0000 175.7157 142 E 3.2968 7.5648 121.2340 58.6309 29.3155 179.3028 143 Q 3.8792 7.9052 119.7246 59.0745 29.2656 178.1654 144 R 3.8184 8.0642 119.4964 59.4345 30.0568 178.2755 145 A 4.0479 7.9710 120.5008 54.9284 18.3683 179.5239 146 K 3.8461 8.1178 118.0193 59.9001 32.1655 178.9470 147 E 4.0156 8.1326 117.2630 58.7481 29.4266 178.3958 148 L 4.3834 7.6323 115.9001 53.3747 42.8390 176.2094 149 S 3.7432 7.9933 114.1023 60.1230 60.5958 171.3419 150 V 4.6467 7.8376 111.0674 59.6224 35.9247 176.5633 151 M 4.5572 8.7050 121.5680 55.2042 33.5191 175.4116 152 F 5.4144 8.3621 121.1443 57.1448 42.9337 173.2392 153 I 4.0048 6.9611 122.3526 59.9812 41.7323 172.6644 154 E 5.0224 8.4480 126.1849 54.8883 32.3141 175.0513 155 T 5.0413 8.7352 112.3963 60.7352 73.5944 172.6765 156 S 4.7710 8.8895 115.7811 57.0889 64.4827 174.5497 157 A 4.1497 8.4929 130.5805 54.7916 18.6490 178.7164 158 K 2.4800 7.6691 116.6161 58.9084 32.2473 177.8550 159 T 4.0665 7.5860 107.0085 61.8847 69.6058 175.8181 160 G 3.9238 8.7520 111.0081 44.6290 0.0000 172.3897 161 Y 4.0637 7.7871 121.1305 59.2903 39.0940 176.0905 162 N 3.7610 8.4156 121.9356 54.0889 36.4191 176.2857 163 V 3.6028 7.7536 120.0665 66.0602 31.5278 178.1463 164 K 4.1743 8.0463 118.9901 59.5370 32.0293 178.3785 165 Q 3.8897 7.9659 119.5395 58.7550 29.1092 177.6285 166 L 3.7020 7.7919 121.4436 58.3544 42.0954 179.1941 167 F 3.8385 7.6064 116.9308 60.2503 38.6092 178.0014 168 R 3.9401 8.2304 117.9684 59.3151 29.8636 179.3550 169 R 3.8730 8.1910 118.0969 59.4182 30.0742 179.6325 170 V 3.6294 7.6255 111.5586 64.1183 31.4986 178.5765 171 A 4.1420 8.1854 120.8314 55.1286 17.9842 179.6247 172 S 4.0521 8.2082 110.9490 61.4072 62.8103 175.9184 173 A 4.1415 8.0578 123.6029 55.0392 17.8688 179.6408 174 L 3.9255 7.6823 116.6226 58.0325 41.8596 179.6073 175 L 4.1189 8.0057 117.3076 55.6761 41.5588 177.1219 176 E 4.1950 7.7723 122.2005 56.8185 30.0512 174.0136 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 13 K 8.31 4.12 0.00 1.84 1.86 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 14 F 8.64 4.59 0.00 3.25 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 15 K 9.68 5.05 0.00 1.93 1.97 0.00 1.97 0.00 0.00 2.18 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.50 7.81 16 L 9.26 5.44 0.00 1.81 1.62 1.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.91 5.08 2.27 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 0.89 0.00 0.00 0.92 0.00 0.00 18 F 9.39 4.78 0.00 3.09 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 19 L 10.04 4.35 0.00 1.14 0.50 0.99 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 G 6.59 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 0.00 0.00 0.00 0.00 21 E 8.35 4.37 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.42 0.00 22 Q 8.51 4.01 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.36 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 23 S 8.86 4.08 0.00 4.13 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 24 V 7.39 3.81 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 0.81 0.00 0.00 1.10 0.00 0.00 25 G 8.62 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 26 K 8.59 3.96 0.00 1.79 1.91 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.55 7.81 27 T 7.81 3.89 4.22 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 1.19 0.00 0.00 28 S 8.02 4.22 0.00 4.11 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 0.00 29 L 8.34 4.07 0.00 1.81 1.84 1.03 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 30 I 7.49 3.56 1.79 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.09 0.72 0.00 0.00 31 T 8.18 3.79 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 1.43 0.00 0.00 32 R 8.30 4.16 0.00 2.14 2.17 0.00 3.51 0.00 0.00 3.62 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 33 F 7.94 4.12 0.00 2.73 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 34 M 7.78 3.53 0.00 0.51 1.16 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.47 0.00 35 Y 7.52 4.62 0.00 2.87 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 36 D 8.09 4.53 0.00 2.67 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 37 S 7.57 4.85 0.00 4.02 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 38 F 8.56 4.93 0.00 3.09 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 39 D 7.82 4.71 0.00 2.49 2.27 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 40 N 8.18 4.42 0.00 2.74 2.81 0.00 0.00 7.05 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 *49 D 7.61 4.79 0.00 2.89 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 50 F 8.08 4.03 0.00 2.90 2.98 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 51 L 7.33 4.63 0.00 1.50 1.27 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.22 4.93 0.00 3.63 3.15 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 53 K 8.72 4.45 0.00 1.52 1.43 0.00 0.76 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.03 1.10 7.81 54 T 8.37 4.86 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 1.17 0.00 0.00 55 M 9.01 4.83 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 56 Y 8.28 4.97 0.00 3.02 2.87 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 57 L 7.47 3.53 0.00 1.45 1.13 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.41 3.64 0.00 1.97 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 2.20 2.22 0.00 59 D 8.50 4.67 0.00 2.88 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 60 R 7.58 4.60 0.00 1.96 2.01 0.00 2.72 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.48 0.00 61 T 8.19 5.06 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 1.29 0.00 0.00 62 V 8.67 4.14 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.74 0.00 0.00 63 R 8.37 4.54 0.00 1.71 1.88 0.00 3.22 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 64 L 8.84 4.95 0.00 1.62 1.66 1.08 0.67 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 65 Q 9.02 4.77 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 66 L 8.62 5.26 0.00 1.37 1.60 0.90 1.15 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 67 W 9.56 5.00 0.00 3.44 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 68 D 9.05 5.26 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.69 4.11 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 0.37 0.00 0.00 70 A 8.65 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 *77 S 7.64 4.42 0.00 3.89 3.95 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 78 L 7.72 4.33 0.00 1.86 1.61 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.21 4.05 2.07 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.43 1.24 0.00 0.00 80 P 0.00 4.74 0.00 2.15 2.39 0.00 4.03 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 81 S 7.81 3.98 0.00 3.63 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.51 3.66 0.00 3.06 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 83 I 8.15 3.91 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.96 0.00 0.00 84 R 8.16 4.00 0.00 1.92 1.98 0.00 3.12 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 85 D 7.71 4.69 0.00 2.56 2.64 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 86 S 7.23 5.05 0.00 3.92 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 0.00 87 T 8.49 4.29 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 1.24 0.00 0.00 88 V 8.19 5.01 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 0.93 0.00 0.00 0.94 0.00 0.00 89 A 9.01 5.00 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 90 V 8.61 4.24 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 0.33 0.00 0.00 0.22 0.00 0.00 91 V 8.41 4.48 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 92 V 8.88 5.03 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 0.98 0.00 0.00 0.97 0.00 0.00 93 Y 8.89 5.12 0.00 3.09 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 94 D 9.11 5.32 0.00 2.83 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 95 I 8.79 3.95 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 0.87 0.00 0.00 96 T 8.56 4.55 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 1.22 0.00 0.00 97 N 8.41 4.90 0.00 2.79 2.83 0.00 0.00 7.16 6.26 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 98 L 8.56 4.11 0.00 1.79 1.78 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.33 4.38 0.00 2.88 3.05 0.00 0.00 6.93 7.63 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 0.00 100 S 8.66 4.31 0.00 4.26 4.14 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 0.00 101 F 8.21 4.17 0.00 2.86 3.19 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 0.00 102 Q 8.29 3.74 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 103 Q 8.28 4.15 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 104 T 7.66 4.17 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 1.41 0.00 0.00 105 S 7.53 4.05 0.00 3.89 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 0.00 106 K 7.71 3.74 0.00 1.58 1.66 0.00 1.14 0.00 0.00 1.45 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.86 1.19 7.81 107 W 7.71 4.30 0.00 3.40 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.11 3.83 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 0.93 0.00 0.00 109 D 8.36 4.36 0.00 2.82 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 0.00 110 D 8.37 4.35 0.00 3.00 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 0.00 111 V 7.84 3.61 2.30 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 1.05 0.00 0.00 1.03 0.00 0.00 112 R 8.14 4.09 0.00 2.06 1.96 0.00 3.24 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 113 T 7.94 3.95 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 1.21 0.00 0.00 114 E 8.22 4.19 0.00 2.16 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 2.44 2.55 0.00 115 R 8.64 4.61 0.00 1.78 1.91 0.00 3.59 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 116 G 8.84 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 0.00 0.00 0.00 117 S 8.75 4.51 0.00 3.98 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 0.00 118 D 7.58 4.64 0.00 2.64 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 0.00 119 V 6.80 4.48 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 0.72 0.00 0.00 0.97 0.00 0.00 120 I 8.27 4.50 1.84 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 1.21 0.76 0.88 0.00 0.00 121 I 8.32 4.94 1.87 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 1.22 0.85 0.95 0.00 0.00 122 M 8.69 5.03 0.00 1.89 1.73 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 123 L 9.14 4.94 0.00 1.94 2.00 1.28 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 124 V 9.22 4.42 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 0.83 0.00 0.00 0.72 0.00 0.00 125 G 8.51 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 0.00 0.00 0.00 126 N 8.49 5.10 0.00 2.76 2.74 0.00 0.00 7.06 7.72 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 0.00 127 K 8.76 4.28 0.00 2.02 1.94 0.00 2.38 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.37 7.81 128 T 7.87 3.94 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 1.26 0.00 0.00 129 D 7.95 4.33 0.00 2.76 2.87 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 0.00 130 L 7.78 4.40 0.00 1.83 1.67 0.94 0.65 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 0.00 131 A 7.83 3.92 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 0.00 132 D 8.02 4.65 0.00 2.62 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 0.00 133 K 8.04 4.59 0.00 1.80 1.74 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.48 7.81 134 R 7.76 4.23 0.00 1.74 1.83 0.00 3.18 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 135 Q 9.28 4.58 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.35 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 136 I 7.55 4.48 1.77 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 0.74 0.30 0.00 0.00 0.00 137 T 8.98 4.20 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 1.22 0.00 0.00 138 I 8.20 3.99 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.95 0.00 0.00 139 E 8.10 3.91 0.00 2.06 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 2.39 2.45 0.00 140 E 8.33 4.07 0.00 2.00 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 2.31 2.27 0.00 141 G 7.79 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 7.56 3.30 0.00 1.97 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 2.17 2.36 0.00 143 Q 7.91 3.88 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 144 R 8.06 3.82 0.00 2.09 2.20 0.00 2.97 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.63 0.00 145 A 7.97 4.05 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 0.00 146 K 8.12 3.85 0.00 1.91 1.97 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 147 E 8.13 4.02 0.00 1.95 1.98 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 2.33 2.68 0.00 148 L 7.63 4.38 0.00 1.65 1.69 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.99 3.74 0.00 4.03 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 0.00 150 V 7.84 4.65 2.26 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 0.76 0.00 0.00 1.06 0.00 0.00 151 M 8.71 4.56 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 152 F 8.36 5.41 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 I 6.96 4.00 1.65 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.01 0.63 0.00 0.00 154 E 8.45 5.02 0.00 1.91 1.82 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 2.15 2.35 0.00 155 T 8.74 5.04 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 1.14 0.00 0.00 156 S 8.89 4.77 0.00 3.87 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 0.00 157 A 8.49 4.15 1.49 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 0.00 158 K 7.67 2.48 0.00 0.79 1.40 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.07 0.70 7.81 159 T 7.59 4.07 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 1.12 0.00 0.00 160 G 8.75 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 0.00 161 Y 7.79 4.06 0.00 2.99 2.87 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 0.00 162 N 8.42 3.76 0.00 2.52 2.58 0.00 0.00 6.76 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 0.00 163 V 7.75 3.60 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.04 0.00 0.00 164 K 8.05 4.17 0.00 1.97 1.83 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.66 7.81 165 Q 7.97 3.89 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 166 L 7.79 3.70 0.00 1.65 1.66 0.55 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 167 F 7.61 3.84 0.00 2.58 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 0.00 168 R 8.23 3.94 0.00 2.07 1.96 0.00 3.13 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 1.72 0.00 169 R 8.19 3.87 0.00 1.79 1.91 0.00 3.19 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 170 V 7.63 3.63 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.89 0.00 0.00 171 A 8.19 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.21 4.05 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 0.00 173 A 8.06 4.14 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 0.00 174 L 7.68 3.93 0.00 2.06 1.70 1.15 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 175 L 8.01 4.12 0.00 1.84 1.79 0.96 0.97 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 0.00 176 E 7.77 4.20 0.00 2.15 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 2.31 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.