NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Q 4.3103 8.3293 118.8258 55.6468 30.0984 175.3648 8 S 4.1787 8.2526 115.1554 57.2084 65.0953 172.7929 9 P 4.2236 0.0000 0.0000 65.9839 31.4229 180.0338 10 R 4.0317 7.9739 116.6754 59.6213 30.0075 178.2789 11 E 4.0168 7.9999 117.8365 59.5782 29.4955 179.5852 12 R 3.9341 8.2692 118.1352 59.0216 29.9397 179.2832 13 L 3.9645 8.0336 118.9409 57.8174 41.7501 179.3287 14 L 3.8865 8.0758 118.9818 57.6418 41.4438 179.2978 15 E 3.8563 8.4529 119.0793 59.2824 29.6571 178.6016 16 A 3.9365 8.0303 120.5408 55.0877 18.3841 179.4533 17 A 3.8274 8.2662 119.1789 55.2512 18.1906 179.6835 18 A 3.8645 7.9612 119.0112 55.7244 18.4741 179.1915 19 A 4.0414 8.2838 119.6872 55.1341 18.4344 179.6262 20 L 3.9706 8.4602 116.4446 57.9230 41.9616 180.1598 21 T 4.5209 7.9419 111.0924 64.1702 68.6117 176.3498 22 Y 3.9857 7.4861 120.4988 60.1269 38.8533 177.4132 23 R 4.5169 7.7229 119.9647 58.3360 30.5836 176.8431 24 D 4.5355 8.2775 115.1552 53.7260 41.8098 177.7120 25 G 4.0098 7.8075 105.2070 45.2516 0.0000 175.2650 26 V 3.6988 8.4055 112.9199 63.4737 31.5226 177.9358 27 G 3.8049 7.9241 107.2677 45.8706 0.0000 173.9996 28 I 3.6992 7.5633 113.8655 60.9512 38.1545 176.6624 29 G 3.9516 8.3006 109.4189 43.6139 0.0000 175.0043 30 V 3.5750 8.1898 119.0798 65.8894 31.3705 177.6791 31 E 3.9268 8.2128 117.4967 59.5895 29.4217 179.0731 32 A 4.0097 7.9530 120.0728 55.0255 18.4335 179.3232 33 L 3.8652 7.9332 118.8468 58.5062 42.2010 179.0589 34 C 4.1278 8.4302 117.1664 62.5616 27.8435 175.8665 35 K 3.8801 8.2478 120.4581 59.4892 31.8285 178.3383 36 A 4.1042 7.8209 119.6470 55.1479 18.4534 179.1583 37 A 4.1644 7.9279 117.4480 52.5619 18.7015 177.6968 38 G 3.8037 8.1033 105.1002 46.8902 0.0000 173.8228 39 V 4.5500 7.5686 110.5048 58.8369 35.6235 175.6778 40 S 4.5913 8.3085 115.7270 57.2887 64.2074 174.5550 41 K 4.0818 8.6465 120.9173 59.7149 32.3004 178.6340 42 R 4.1853 8.3304 118.6083 59.7586 30.3129 179.9940 43 S 4.3945 8.0151 112.7012 59.0824 62.0008 175.9795 *45 Y 5.2278 7.8808 119.7105 58.4003 39.6287 177.6711 46 Q 4.2908 8.5351 118.3956 58.5986 28.9896 177.6360 47 L 4.0482 7.7074 116.3279 55.8636 42.4328 176.9474 48 F 4.9452 7.4653 116.0024 55.1629 42.6358 175.6024 49 E 4.0804 9.1276 124.1885 59.2979 29.9369 177.0424 50 S 4.7501 7.5249 111.3943 56.3736 66.4396 176.2027 51 K 3.7971 8.3264 122.2640 59.5507 31.8389 178.1533 52 D 4.3856 8.0800 118.7061 57.6857 40.7551 178.6654 53 E 4.0350 8.1118 118.3482 58.9054 29.3601 179.2243 54 L 3.0174 7.7405 120.7474 57.7514 42.0873 178.7916 55 L 3.8411 8.0952 120.3917 57.8603 41.8979 178.7310 56 A 3.9841 8.1624 120.5790 55.1881 18.3052 179.3961 57 A 3.9703 8.1908 119.4652 55.3619 18.2183 179.7679 58 S 4.0181 7.9233 110.6052 61.4351 62.6265 176.2034 59 L 4.1738 8.0186 121.5629 57.7381 40.9326 179.3376 60 K 3.9502 8.2797 119.7373 59.6101 32.0086 178.1467 61 E 4.2846 8.4498 116.1736 57.5420 29.6974 177.9258 62 R 4.5719 7.6279 117.8507 55.8907 31.0313 177.9798 63 S 4.2457 7.8715 114.6815 61.3199 63.0034 175.9227 64 A 3.9657 8.2129 123.9819 55.1498 17.8631 179.3673 65 A 3.9571 8.0193 118.3972 55.0704 18.4964 179.3482 66 F 4.1901 8.0407 119.0270 61.5947 39.5485 177.4139 67 V 2.9873 8.3459 117.9215 65.8743 31.0547 177.6574 68 A 3.8919 7.8019 119.2641 55.0562 18.1868 179.2357 69 K 4.1074 7.3483 115.5508 58.9567 32.5495 179.0520 70 A 3.9191 7.9931 120.5317 53.1629 18.4606 177.5169 71 L 4.3567 6.7756 116.1346 51.9614 43.8813 174.7484 72 P 3.6767 0.0000 0.0000 61.1569 32.1447 174.5549 73 P 4.2939 0.0000 0.0000 62.3783 31.8764 177.2376 74 A 4.0742 8.5663 122.8235 54.7386 18.6519 178.2690 75 D 4.9046 7.8567 113.9107 53.1665 39.6482 177.5755 76 D 4.3020 7.6482 118.1982 54.5997 39.4124 177.4042 77 G 3.9101 7.6335 107.1013 45.8734 0.0000 174.2612 78 R 4.3228 7.9663 118.8276 55.5847 30.9287 177.2082 79 S 4.4967 9.0500 116.9435 57.0287 65.4003 173.7305 80 P 4.8181 0.0000 0.0000 65.2977 30.9474 179.0639 81 R 3.9537 7.9909 116.0658 59.4983 30.0602 178.8756 82 E 4.0616 8.1127 117.8542 59.4619 29.0301 179.7046 83 R 4.1453 8.3123 118.2932 59.2166 29.9470 179.1485 84 I 4.3178 8.0513 119.7948 64.5748 37.1029 178.4754 85 L 4.1930 8.4285 120.0931 57.9586 41.0045 178.7312 86 Y 4.0984 8.4421 119.5890 60.8282 38.2335 178.6513 87 V 3.8773 7.9783 117.7388 66.2892 31.7268 178.1438 88 F 4.2867 8.4331 117.3713 60.1340 38.6397 177.3643 89 E 3.9461 8.7700 119.8325 59.3842 29.3702 179.1355 90 R 3.7762 7.6062 117.5811 58.9913 30.0779 179.1638 91 V 3.4359 7.4022 116.8940 65.9606 31.3936 177.6905 92 E 3.8446 8.2824 119.0637 59.3551 29.2129 179.0084 93 S 4.0349 8.1483 115.4569 61.7101 62.9476 176.6785 94 Q 3.8509 8.3649 120.5325 58.2130 28.1461 178.3280 95 A 3.4239 7.2373 121.4629 54.6441 18.3369 179.5204 96 G 3.6524 7.4986 103.1443 46.0655 0.0000 174.2592 97 A 4.1185 7.4924 125.6067 51.4452 18.7195 176.6598 98 P 4.3755 0.0000 0.0000 65.7563 31.4246 177.2642 99 D 4.5148 8.0499 116.5721 55.1299 41.2434 176.0712 100 F 4.3644 8.4252 122.9652 58.9003 39.6869 174.6727 101 Q 4.1926 8.5783 128.3833 55.3124 29.6200 176.8621 102 G 3.5677 5.6752 106.9228 44.6617 0.0000 172.8307 103 C 4.3968 8.3574 119.1920 58.7253 32.6494 175.3881 104 R 3.9516 8.3347 125.6717 59.5310 28.8647 178.4539 105 Y 4.1215 7.1730 116.9728 60.5033 38.0667 177.4803 106 L 4.0072 8.0065 120.6507 58.0991 42.2768 178.6233 107 A 3.9525 8.2127 120.9555 55.1974 18.2612 179.6246 108 V 3.5104 7.8323 116.6349 66.3537 31.4109 178.3458 109 Q 4.0106 7.9333 117.5519 59.0027 28.3626 178.7330 110 I 3.7302 7.6350 119.6500 64.5274 37.2353 178.1220 111 E 4.1014 8.3144 118.6362 59.3300 29.3697 179.1040 112 L 4.0316 8.0835 118.1458 55.1458 42.2939 177.0926 113 K 3.7180 7.7086 117.2374 56.4028 30.3875 176.0798 114 D 4.3473 7.3945 115.5705 53.7893 42.0992 175.3353 115 Q 4.0073 8.6714 126.5481 58.4015 28.9602 177.9948 116 A 4.1303 7.8043 119.2573 53.8603 19.0611 177.9044 117 H 4.2038 8.1087 117.0866 55.4178 31.4734 173.9138 118 P 4.2363 0.0000 0.0000 66.2918 30.9283 178.5482 119 A 4.0724 8.1918 120.0364 54.9498 18.2599 179.6492 120 S 4.1356 8.1547 113.2436 61.7846 62.9874 176.9608 121 R 3.9416 8.2551 120.9468 59.0189 29.7665 179.3504 122 V 3.5678 7.8536 117.6180 65.9233 31.6201 177.7887 123 A 4.0606 8.2452 120.7261 55.4383 18.1450 178.8977 124 Y 4.0192 8.3640 118.1160 60.9772 38.8571 178.1615 125 Q 4.0001 8.3214 120.4079 59.2208 29.1716 178.1947 126 I 3.5227 7.7194 120.7842 64.4090 36.8632 178.6668 127 K 3.8809 7.7889 117.6872 58.9708 31.8521 179.0553 128 A 3.9483 7.7594 121.0531 55.1412 18.5658 178.9696 129 D 4.4436 8.3484 117.8485 57.1983 40.8416 179.6854 130 L 3.5491 7.4623 119.0675 55.1791 41.8910 178.4616 *132 A 4.2715 8.0376 122.1673 51.6432 20.8548 179.6899 133 F 4.0763 8.0953 117.5344 61.4432 39.2945 177.4025 134 F 4.3732 7.9128 117.3834 60.5859 38.7340 177.4818 135 R 3.8978 8.1107 117.8343 59.5389 29.8748 178.1661 136 S 4.0332 8.2012 112.9221 61.6304 62.5223 176.1106 137 E 3.8576 8.0407 120.9070 58.9475 29.1003 179.1535 138 A 3.9514 8.2803 121.3614 55.3176 18.6563 179.3784 139 E 3.9054 8.2848 117.7735 59.3234 29.4237 178.9729 140 R 4.0249 7.7723 118.3747 58.8529 30.2346 177.7913 141 G 3.9711 8.1164 102.9029 43.9934 0.0000 173.6469 142 G 3.8261 7.8397 107.7559 45.8860 0.0000 174.1720 143 A 4.2224 7.8408 122.1709 52.0417 18.8970 178.9615 144 S 4.2384 9.1265 117.8620 61.0066 63.2318 174.4656 145 D 4.6232 7.6156 120.6507 50.3106 41.6598 173.1404 146 P 4.2800 0.0000 0.0000 65.2201 31.5262 177.6195 147 D 4.3545 8.0615 117.1363 57.2304 40.8310 178.4158 148 L 3.9089 8.1372 120.7090 58.1523 42.1273 178.7118 149 L 4.1808 8.2799 121.3159 57.5014 41.9333 178.6386 150 A 4.1003 8.2943 120.9145 55.5130 18.4713 179.9052 151 R 3.9507 8.0687 116.4356 59.3382 29.5676 179.4672 152 Q 4.0082 8.1330 117.9835 58.8429 28.6862 178.5620 153 L 3.9053 8.2214 120.3984 57.9197 41.5678 179.5562 154 I 4.1175 8.1712 118.6031 63.8896 37.8563 177.7203 155 L 4.0402 8.0120 121.2279 58.2375 41.9909 179.1928 156 V 3.7707 8.2795 118.5204 65.7255 31.3890 177.6576 157 F 4.1428 9.0455 121.0499 61.5884 39.1882 176.9670 158 D 4.6245 8.8508 118.7340 57.2721 40.7578 178.9563 159 G 3.6440 8.7064 106.5184 47.7320 0.0000 175.6155 160 A 4.0282 8.5464 123.8158 55.0358 18.4257 179.9035 161 S 4.1845 8.1791 113.5410 61.6291 62.7422 176.8596 162 A 3.9703 8.2672 123.5668 55.4269 18.2207 180.0298 163 R 3.9193 8.0355 116.1458 59.1329 29.9957 179.1555 164 A 5.0181 7.8673 122.3480 54.4761 18.2755 179.9121 165 G 3.5109 8.4335 103.7839 46.7755 0.0000 174.8819 166 I 4.3294 7.3958 112.8510 60.0525 38.1752 176.4372 167 G 3.8802 7.7158 108.0827 46.1437 0.0000 174.7444 168 A 4.1583 8.0370 124.0491 54.3250 18.9479 178.4714 169 D 4.5630 7.7273 114.2684 53.5660 44.0540 174.9557 170 N 4.5822 8.8388 122.8559 52.4554 37.9792 176.2754 171 L 3.8431 9.1749 119.3515 55.3799 41.1741 174.5526 172 T 4.3104 7.0218 108.4410 62.5156 68.6461 174.6785 173 G 3.9099 8.9475 113.6119 45.9994 0.0000 173.6724 174 L 4.4683 8.0242 121.5998 56.2675 43.3154 178.3654 175 I 3.7385 7.5128 119.3279 64.1631 37.3015 178.0596 176 V 3.5050 7.6976 118.3193 65.8410 31.4100 176.1698 177 P 4.2740 0.0000 0.0000 65.8201 31.1449 178.7838 178 T 3.8266 7.6219 114.6792 66.5088 68.3768 176.8166 179 L 3.7268 8.2431 121.1625 57.9999 41.5592 179.5254 180 T 3.8214 8.1776 116.0545 67.0489 68.3983 176.6636 181 T 3.8317 7.8650 117.3628 66.6797 68.5536 176.7685 182 L 3.9712 7.8210 120.8376 57.6140 41.4007 179.5788 183 L 3.9373 8.1563 118.2856 57.9131 41.8597 178.9830 184 D 4.4420 8.4370 118.9891 57.3520 40.5396 178.7391 185 A 3.9854 7.9572 119.9414 54.6913 18.6673 178.5896 186 A 4.1965 7.8434 117.1562 50.7025 18.7289 172.7123 187 D 4.3670 7.4760 126.1211 53.9152 41.8932 173.7804 *189 H 4.4677 8.7400 119.3069 56.1209 29.1115 173.1326 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 7 Q 8.33 4.31 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 8 S 8.25 4.18 0.00 4.16 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 9 P 0.00 4.22 0.00 2.19 2.18 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 10 R 7.97 4.03 0.00 1.86 1.95 0.00 3.05 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 11 E 8.00 4.02 0.00 2.19 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 2.36 2.51 0.00 12 R 8.27 3.93 0.00 2.01 2.10 0.00 3.13 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 13 L 8.03 3.96 0.00 2.01 1.64 1.11 0.59 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 14 L 8.08 3.89 0.00 1.86 1.73 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.45 3.86 0.00 2.19 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 0.00 2.31 2.37 0.00 16 A 8.03 3.94 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 17 A 8.27 3.83 1.25 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 18 A 7.96 3.86 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.28 4.04 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 L 8.46 3.97 0.00 1.75 1.72 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.94 4.52 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 1.21 0.00 0.00 22 Y 7.49 3.99 0.00 2.93 3.11 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 23 R 7.72 4.52 0.00 1.90 1.91 0.00 3.13 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 24 D 8.28 4.54 0.00 2.72 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 25 G 7.81 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.41 3.70 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 0.63 0.00 0.00 0.94 0.00 0.00 27 G 7.92 3.80 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 0.00 0.00 0.00 28 I 7.56 3.70 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 0.96 0.00 0.00 29 G 8.30 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 0.00 0.00 0.00 30 V 8.19 3.58 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 1.12 0.00 0.00 0.93 0.00 0.00 31 E 8.21 3.93 0.00 2.02 1.99 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 2.42 2.34 0.00 32 A 7.95 4.01 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 33 L 7.93 3.87 0.00 1.99 1.72 0.87 0.91 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 34 C 8.43 4.13 0.00 3.15 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 35 K 8.25 3.88 0.00 1.81 1.84 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 36 A 7.82 4.10 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 37 A 7.93 4.16 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 38 G 8.10 3.80 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 0.00 0.00 0.00 39 V 7.57 4.55 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 0.94 0.00 0.00 40 S 8.31 4.59 0.00 4.00 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 41 K 8.65 4.08 0.00 1.87 2.12 0.00 1.91 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.48 7.81 42 R 8.33 4.19 0.00 1.89 1.98 0.00 3.21 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 43 S 8.02 4.39 0.00 4.11 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 *45 Y 7.88 5.23 0.00 3.09 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 46 Q 8.54 4.29 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 47 L 7.71 4.05 0.00 1.53 0.93 1.00 0.40 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 48 F 7.47 4.95 0.00 3.12 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 49 E 9.13 4.08 0.00 1.98 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 2.34 2.44 0.00 50 S 7.52 4.75 0.00 4.11 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 51 K 8.33 3.80 0.00 1.79 1.83 0.00 1.81 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.63 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 78 R 7.97 4.32 0.00 2.05 1.90 0.00 3.27 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 79 S 9.05 4.50 0.00 4.04 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 80 P 0.00 4.82 0.00 2.17 2.33 0.00 3.89 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 2.15 2.03 0.00 81 R 7.99 3.95 0.00 1.87 2.00 0.00 3.24 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 82 E 8.11 4.06 0.00 2.27 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 0.00 2.38 2.39 0.00 83 R 8.31 4.15 0.00 2.09 2.26 0.00 3.26 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 84 I 8.05 4.32 2.13 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 1.76 0.91 1.05 0.00 0.00 85 L 8.43 4.19 0.00 1.94 1.82 0.95 0.80 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 86 Y 8.44 4.10 0.00 3.24 3.26 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 87 V 7.98 3.88 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 1.00 0.00 0.00 1.08 0.00 0.00 88 F 8.43 4.29 0.00 3.23 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.77 3.95 0.00 2.09 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 2.27 2.45 0.00 90 R 7.61 3.78 0.00 1.98 1.88 0.00 2.94 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.35 0.00 91 V 7.40 3.44 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 0.81 0.00 0.00 0.61 0.00 0.00 92 E 8.28 3.84 0.00 2.07 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 0.00 2.25 2.31 0.00 93 S 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0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.11 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 102 G 5.68 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 0.00 0.00 0.00 103 C 8.36 4.40 0.00 3.19 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 0.00 104 R 8.33 3.95 0.00 1.88 1.76 0.00 2.21 0.00 0.00 2.79 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 105 Y 7.17 4.12 0.00 3.03 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 0.00 106 L 8.01 4.01 0.00 1.88 1.88 0.99 1.06 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 0.00 107 A 8.21 3.95 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 0.00 108 V 7.83 3.51 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 1.03 0.00 0.00 0.95 0.00 0.00 109 Q 7.93 4.01 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.52 1.45 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.52 0.10 0.00 0.00 127 K 7.79 3.88 0.00 1.69 1.77 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.65 7.81 128 A 7.76 3.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.35 4.44 0.00 2.76 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 0.00 130 L 7.46 3.55 0.00 1.49 1.51 0.14 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 *132 A 8.04 4.27 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.10 4.08 0.00 2.98 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 0.00 134 F 7.91 4.37 0.00 3.19 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 0.00 135 R 8.11 3.90 0.00 1.96 2.10 0.00 3.24 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 136 S 8.20 4.03 0.00 3.90 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 0.00 137 E 8.04 3.86 0.00 1.81 1.85 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 1.62 1.77 0.00 138 A 8.28 3.95 1.36 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 0.00 0.00 0.00 139 E 8.28 3.91 0.00 2.04 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 2.29 2.31 0.00 140 R 7.77 4.02 0.00 2.03 2.01 0.00 3.28 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 141 G 8.12 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 0.00 142 G 7.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.84 4.22 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 0.00 144 S 9.13 4.24 0.00 3.93 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 0.00 145 D 7.62 4.62 0.00 2.63 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 0.00 146 P 0.00 4.28 0.00 2.20 2.09 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 147 D 8.06 4.35 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.14 3.91 0.00 1.96 1.83 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.28 4.18 0.00 1.79 1.64 0.85 0.84 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 0.00 150 A 8.29 4.10 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 0.00 151 R 8.07 3.95 0.00 2.09 2.03 0.00 3.16 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 152 Q 8.13 4.01 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 153 L 8.22 3.91 0.00 1.37 0.62 0.67 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.17 4.12 2.15 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 1.46 1.58 1.09 0.00 0.00 155 L 8.01 4.04 0.00 2.01 1.91 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.28 3.77 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 0.95 0.00 0.00 0.98 0.00 0.00 157 F 9.05 4.14 0.00 3.36 3.43 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 0.00 158 D 8.85 4.62 0.00 2.88 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 0.00 159 G 8.71 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 0.00 0.00 0.00 160 A 8.55 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 S 8.18 4.18 0.00 3.88 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 0.00 162 A 8.27 3.97 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 0.00 163 R 8.04 3.92 0.00 2.01 2.01 0.00 3.14 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 164 A 7.87 5.02 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.40 4.33 1.85 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 1.71 0.72 0.91 0.00 0.00 167 G 7.72 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 0.00 168 A 8.04 4.16 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 0.00 169 D 7.73 4.56 0.00 2.66 2.49 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 0.00 170 N 8.84 4.58 0.00 2.83 2.90 0.00 0.00 6.29 7.79 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 0.00 171 L 9.17 3.84 0.00 1.83 1.88 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 172 T 7.02 4.31 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 1.24 0.00 0.00 173 G 8.95 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 0.00 174 L 8.02 4.47 0.00 1.73 1.83 0.91 1.30 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 0.00 175 I 7.51 3.74 2.01 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 1.69 0.73 0.94 0.00 0.00 176 V 7.70 3.51 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 1.07 0.00 0.00 0.93 0.00 0.00 177 P 0.00 4.27 0.00 2.17 2.06 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 178 T 7.62 3.83 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 1.13 0.00 0.00 179 L 8.24 3.73 0.00 1.59 1.50 0.54 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 180 T 8.18 3.82 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 1.21 0.00 0.00 181 T 7.86 3.83 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 1.18 0.00 0.00 182 L 7.82 3.97 0.00 1.71 1.63 0.81 0.70 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 0.00 183 L 8.16 3.94 0.00 1.54 1.69 0.88 1.00 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 0.00 184 D 8.44 4.44 0.00 2.66 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 0.00 185 A 7.96 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 186 A 7.84 4.20 1.36 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 0.00 0.00 0.00 187 D 7.48 4.37 0.00 2.83 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 *189 H 8.74 4.47 0.00 3.27 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.