NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4103 8.2893 120.3486 55.3855 33.1385 174.6732 2 N 4.6886 8.5887 123.9659 51.3367 39.0167 172.9567 3 I 4.6089 8.7897 121.0711 59.5875 41.9576 176.3177 4 I 4.3818 8.3151 123.5823 59.6256 38.6304 175.1561 5 K 4.4462 8.6219 124.8292 54.3958 34.0485 176.2247 6 A 4.5692 8.3936 126.4109 50.7861 20.9161 175.0438 7 N 5.0337 8.1724 116.8548 51.9731 41.2878 175.7296 8 V 3.8866 8.1112 114.3123 62.6822 32.3250 176.3197 9 A 4.3242 8.0328 123.7549 52.0918 18.6470 178.1332 10 A 4.6581 8.3452 123.5692 51.1706 21.5845 174.0246 11 P 4.7159 0.0000 0.0000 64.9112 32.1584 178.9034 12 D 4.5637 8.0779 115.4576 54.3084 40.5081 175.7235 13 A 4.6313 7.7009 124.6358 51.7671 20.3208 178.2070 14 R 4.8463 9.5854 121.0534 55.1154 32.4179 175.8313 15 V 4.9259 8.9914 124.5955 60.0028 34.7662 173.9436 16 A 4.8248 8.4524 128.5723 50.0999 21.5038 175.2110 17 I 4.7563 8.6552 123.9457 59.6377 39.3225 174.7182 18 T 4.7459 8.6324 117.8425 60.0073 70.7599 173.3992 19 I 5.1720 8.1977 126.6320 58.2581 40.3996 174.5387 20 A 5.0369 8.4302 127.9807 51.3301 19.1147 177.9474 21 R 4.4539 9.3287 119.5366 58.4413 30.2704 176.9816 22 F 4.6212 8.2514 121.4528 59.8429 39.7140 174.3188 23 N 4.6474 9.8926 123.8799 54.5481 35.6814 176.1335 24 Q 4.1628 8.3260 120.4648 59.4423 28.0818 177.8770 25 F 4.0773 8.4952 121.4970 61.1449 39.4077 176.4042 26 I 4.2236 8.2341 118.5690 63.6559 37.3207 177.8034 27 N 4.3963 8.2579 116.5734 56.1769 38.2776 177.0372 28 D 4.5021 8.7225 120.9111 57.5689 40.9509 178.7077 29 S 4.0597 7.9603 113.0613 61.0485 62.4155 175.4088 30 L 4.0526 7.7876 123.2104 58.7530 41.6590 178.3081 31 L 3.8758 8.4825 120.5120 57.5749 41.9669 178.7007 32 D 4.4955 8.5429 118.5373 57.2637 41.0118 179.7495 33 G 3.6089 8.2643 105.9301 47.8048 0.0000 175.2731 34 A 3.9046 7.8296 123.3453 54.7182 18.4832 179.2602 35 V 3.4399 7.8620 116.5434 66.3601 31.5483 177.3598 36 D 4.3115 8.1513 117.0430 57.7140 40.9961 177.7948 37 A 3.9358 8.4168 120.9558 55.8361 18.3959 179.0191 38 L 3.8540 8.5302 116.4973 59.2853 41.8251 179.8699 39 T 4.1821 8.2566 110.7930 64.1895 68.6297 176.3510 40 R 3.8613 8.2439 123.7230 58.2122 30.6733 177.9953 41 I 4.0804 7.9568 117.2355 63.5135 37.8161 177.1210 42 G 3.7483 7.9451 106.5383 45.0825 0.0000 173.9947 43 Q 3.7661 8.2990 119.8699 56.4209 27.9126 172.9127 44 V 3.8434 7.4674 116.6922 62.2280 32.2053 175.1461 45 K 4.3986 8.5674 128.7543 56.1829 32.5775 176.6426 46 D 4.6642 8.8080 124.2781 54.0502 39.1290 176.1860 47 D 4.7907 7.9782 117.2702 53.7568 40.1164 176.3110 48 N 4.7186 8.5321 117.7517 53.5927 39.3002 174.0286 49 I 4.8887 7.5876 120.3143 60.1645 38.4831 175.1431 50 T 4.7018 8.8929 117.6049 59.6960 71.8374 173.0401 51 V 4.6113 8.4087 123.8046 61.0722 34.0100 174.5564 52 V 4.3083 8.8438 128.5704 60.7754 33.6655 174.5339 53 W 4.7448 8.9894 129.1123 56.6395 29.5218 176.5106 54 V 4.4100 8.7744 119.2826 59.1099 33.7301 174.9697 55 P 4.3250 0.0000 0.0000 65.2062 31.4843 176.9412 56 G 4.5277 7.9869 108.5357 42.7134 0.0000 174.0234 57 A 4.0836 8.4736 120.5078 54.7768 18.0899 179.2677 58 Y 4.2010 8.1480 117.1372 60.6473 39.2613 177.3538 59 E 4.1294 8.2170 119.0917 57.9055 29.6279 178.5167 60 L 3.8969 7.5225 119.4974 58.2780 41.6268 176.9576 61 P 4.1696 0.0000 0.0000 64.7684 31.0968 177.9700 62 L 3.8229 7.7064 117.9432 58.4881 42.4124 179.4381 63 A 3.9811 7.8356 120.1809 55.5841 18.3539 179.8339 64 T 3.8460 8.1503 108.4243 64.4729 68.7515 176.2193 65 E 3.8433 8.9620 122.7535 59.2330 29.5846 178.2525 66 A 4.0013 7.9926 120.5321 55.6699 18.1797 179.5285 67 L 4.0751 7.6068 114.8472 57.9684 41.9798 179.5473 68 A 4.2277 8.3037 120.6953 55.1638 18.2259 179.8707 69 K 3.9461 8.2531 116.2378 59.5520 32.1242 179.0140 70 S 4.2039 8.1552 113.1314 59.4624 62.0600 175.8172 71 G 3.9520 8.5586 110.6095 46.2406 0.0000 176.0507 72 K 3.5599 7.8014 120.5322 56.3308 31.8507 182.1543 73 Y 5.1020 6.9878 113.2566 56.8490 40.6924 175.4490 74 D 4.7285 9.2126 121.8145 55.5928 41.8064 176.4527 75 A 4.5388 7.2181 118.3454 51.3899 22.3971 175.1120 76 V 4.7386 8.1434 119.8373 61.0360 34.6535 174.4996 77 V 4.3419 8.7502 128.3450 61.5895 33.3999 174.1743 78 A 4.9441 8.6041 130.1860 49.6796 20.8528 175.2078 79 L 5.2755 8.1435 123.4492 52.5857 44.4916 176.3360 80 G 4.2043 7.7064 108.2616 45.9427 0.0000 171.8591 81 T 5.0930 8.5508 116.2719 61.4852 71.9865 174.2653 82 V 4.2229 9.0365 125.3911 61.3361 34.1261 173.9048 83 I 4.8147 8.2025 128.7308 59.6429 38.6845 175.9583 84 R 3.6730 8.4254 127.7229 56.5037 30.3292 176.3179 85 G 4.4128 8.3422 116.0711 44.2102 0.0000 172.8945 86 G 3.6459 8.7650 107.5484 47.4425 0.0000 173.4325 87 T 4.5245 7.5770 108.3992 59.6718 71.4497 173.5880 88 A 4.4380 8.3740 121.3688 52.8186 18.6858 178.7612 89 H 4.2716 8.3288 120.3610 60.2511 29.8432 176.9178 90 F 4.0021 8.4856 122.0105 61.5848 38.9901 176.6875 91 E 3.5987 8.0077 118.4343 59.5071 29.3272 178.3596 92 Y 4.3401 7.3993 115.8893 60.8101 38.2772 177.3709 93 V 3.6668 7.7119 119.3467 65.8283 31.5301 177.6830 94 A 4.0717 7.8870 120.0450 55.2621 18.1002 179.7624 95 G 3.6032 8.1279 104.4734 47.8573 0.0000 176.1395 96 G 3.8272 8.6643 108.4790 45.9092 0.0000 174.9503 97 A 4.2371 7.8659 122.7543 54.4708 19.5260 179.1483 98 S 4.1730 8.2638 111.8353 61.9141 62.3791 176.2720 99 N 4.4560 8.5483 119.4211 55.9168 38.3278 177.4487 100 G 3.6943 7.7490 106.7982 48.0002 0.0000 175.4555 101 L 3.9952 8.0242 121.7129 57.2965 41.8884 179.6086 102 A 3.9866 8.0143 120.5238 55.0899 18.2405 179.5925 103 S 3.9597 8.2795 111.6865 61.5260 62.4699 176.1608 104 V 3.5497 7.7873 120.7163 66.2643 31.1249 177.7412 105 A 4.3533 7.8649 121.3201 54.8111 18.0077 179.4110 106 Q 3.9006 7.6809 116.3846 59.2208 29.1445 177.8016 107 D 4.5370 8.0723 119.3720 56.9235 41.2680 178.4623 108 S 4.3559 8.3370 113.0173 58.6420 63.4820 175.5914 109 G 3.8861 8.0813 109.4112 45.7630 0.0000 173.7405 110 V 3.9570 7.5329 121.1080 61.6091 32.9807 173.6259 111 P 4.5347 0.0000 0.0000 62.7114 32.5009 175.1477 112 V 4.8428 8.3883 123.5584 61.0222 33.9718 174.2730 113 A 4.4050 8.8835 130.5910 51.0109 20.2131 176.3876 114 F 4.7526 9.0041 126.9040 56.4303 38.2532 175.8448 115 G 3.9246 8.0458 117.8129 44.8871 0.0000 171.0954 116 V 4.5798 6.1342 117.5398 60.5721 33.8335 176.1183 117 L 4.2486 8.8355 129.6239 55.1830 42.7764 176.6823 118 T 5.1834 8.7378 112.5397 58.7822 68.9669 172.5708 119 T 4.6187 8.1783 120.8664 60.9616 72.1075 174.9752 120 E 4.1245 9.8937 120.9317 57.3292 30.4176 177.2192 121 S 4.7029 7.5793 112.0760 55.5623 67.6211 174.7926 122 I 3.6694 8.2348 123.1249 64.3074 36.6060 177.8953 123 E 3.9117 8.2172 118.9163 59.8240 29.6025 178.6829 124 Q 4.2888 8.0715 117.2818 58.8151 28.7626 178.5980 125 A 4.0069 7.7496 121.8580 55.4516 18.3149 179.7190 126 I 3.7571 7.8793 118.1438 64.6869 37.1525 178.5522 127 E 4.5336 8.0356 120.2846 58.1493 29.2969 178.4491 128 R 4.5402 8.0052 115.7574 55.7468 30.4970 176.7545 129 A 4.7713 7.1838 121.8025 52.7098 19.4765 177.0826 130 G 4.4555 7.8387 107.9300 48.1826 0.0000 175.3540 131 T 4.5972 7.5339 115.5924 60.0042 68.9071 175.7722 132 K 3.7944 9.2141 117.0990 59.3249 31.7983 177.9315 133 A 4.5758 7.7288 119.3101 52.0330 20.0702 178.8430 134 G 3.7492 8.0882 110.7722 47.3162 0.0000 173.9007 135 N 5.2543 8.2289 117.3837 50.8583 40.8408 175.6007 136 K 4.0245 8.9413 128.6697 58.8774 32.0776 179.0645 137 G 4.0642 8.2799 107.8965 47.3764 0.0000 175.6752 138 A 4.0332 7.8661 123.4379 54.2459 18.4122 179.2435 139 E 3.8564 8.4747 118.0346 59.4049 29.7541 178.9183 140 A 4.0350 8.5274 122.1941 54.4162 18.4832 179.3431 141 A 3.9122 8.1969 119.5148 55.3220 18.3607 179.9531 142 L 3.9194 8.0214 117.5579 58.2285 41.3671 179.9056 143 T 3.8358 8.1640 109.4100 64.5020 68.4665 176.1785 144 A 3.9870 7.9307 123.9429 55.0804 18.4865 179.1299 145 L 3.8745 7.8038 116.8178 58.1311 41.7544 179.2273 146 E 4.1721 8.3054 120.3315 59.1263 29.4728 178.9680 147 M 4.0420 7.9616 117.9401 58.3700 31.9209 178.4601 148 I 3.6770 7.6787 119.9124 64.8428 37.2933 178.1698 149 N 4.3313 7.9909 116.3728 56.2434 38.1434 177.5802 150 V 3.5752 7.8945 119.0276 66.0222 31.8629 177.9379 151 L 4.0830 8.4295 118.9086 57.8418 41.3989 179.1008 152 K 3.8648 8.1498 118.4035 59.5627 32.0323 177.0642 153 A 4.4595 8.0741 120.1220 51.7817 19.3436 177.2529 154 I 3.8718 7.6939 120.8450 63.1999 37.7580 173.9331 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 1 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.69 0.00 2.95 2.79 0.00 0.00 6.05 6.93 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 3 I 8.79 4.61 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 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.38 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 1.41 0.61 0.91 0.00 0.00 5 K 8.62 4.45 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.57 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 7 N 8.17 5.03 0.00 2.74 2.65 0.00 0.00 6.87 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 8 V 8.11 3.89 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 0.86 0.00 0.00 0.93 0.00 0.00 9 A 8.03 4.32 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.35 4.66 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 11 P 0.00 4.72 0.00 2.23 2.38 0.00 3.86 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 2.07 1.94 0.00 12 D 8.08 4.56 0.00 2.69 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 13 A 7.70 4.63 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 14 R 9.59 4.85 0.00 1.43 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 15 V 8.99 4.93 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 0.92 0.00 0.00 0.95 0.00 0.00 16 A 8.45 4.82 0.30 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 17 I 8.66 4.76 1.68 0.00 0.00 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 1.16 0.76 0.73 0.00 0.00 18 T 8.63 4.75 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.20 5.17 0.73 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.02 0.45 0.00 0.00 20 A 8.43 5.04 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 21 R 9.33 4.45 0.00 2.09 2.53 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.25 4.62 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 23 N 9.89 4.65 0.00 2.96 2.98 0.00 0.00 6.88 8.08 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 24 Q 8.33 4.16 0.00 2.53 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.50 4.08 0.00 3.14 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 26 I 8.23 4.22 2.12 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 1.67 0.90 0.95 0.00 0.00 27 N 8.26 4.40 0.00 2.87 2.91 0.00 0.00 7.09 8.08 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 28 D 8.72 4.50 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.96 4.06 0.00 3.81 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 30 L 7.79 4.05 0.00 1.93 1.63 0.94 0.50 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 31 L 8.48 3.88 0.00 1.79 1.77 0.76 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.54 4.50 0.00 2.87 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 33 G 8.26 3.61 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 0.00 0.00 0.00 34 A 7.83 3.90 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 35 V 7.86 3.44 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 0.98 0.00 0.00 0.95 0.00 0.00 36 D 8.15 4.31 0.00 2.83 2.90 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 37 A 8.42 3.94 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 38 L 8.53 3.85 0.00 1.84 1.72 0.89 0.68 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 39 T 8.26 4.18 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 1.28 0.00 0.00 40 R 8.24 3.86 0.00 1.80 2.23 0.00 3.24 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 7.96 4.08 2.08 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 1.23 0.97 0.91 0.00 0.00 42 G 7.95 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 43 Q 8.30 3.77 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.47 3.84 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 0.92 0.00 0.00 1.00 0.00 0.00 45 K 8.57 4.40 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.66 0.00 2.83 2.75 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 47 D 7.98 4.79 0.00 2.79 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 48 N 8.53 4.72 0.00 2.87 2.99 0.00 0.00 6.90 7.11 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 49 I 7.59 4.89 1.88 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 0.53 0.89 0.00 0.00 50 T 8.89 4.70 4.32 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 1.50 0.00 0.00 51 V 8.41 4.61 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 0.48 0.00 0.00 0.84 0.00 0.00 52 V 8.84 4.31 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.99 4.74 0.00 3.20 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 54 V 8.77 4.41 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.10 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.32 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.99 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.47 4.08 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 58 Y 8.15 4.20 0.00 2.92 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 59 E 8.22 4.13 0.00 2.00 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 2.64 2.58 0.00 60 L 7.52 3.90 0.00 1.78 1.71 0.88 0.73 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 61 P 0.00 4.17 0.00 2.03 1.84 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 62 L 7.71 3.82 0.00 1.63 1.67 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.84 3.98 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 64 T 8.15 3.85 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 1.20 0.00 0.00 65 E 8.96 3.84 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 66 A 7.99 4.00 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 67 L 7.61 4.08 0.00 1.77 1.67 0.63 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.30 4.23 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 69 K 8.25 3.95 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.60 7.81 70 S 8.16 4.20 0.00 3.91 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 0.00 71 G 8.56 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 72 K 7.80 3.56 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.99 5.10 0.00 2.76 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 74 D 9.21 4.73 0.00 2.55 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 75 A 7.22 4.54 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 76 V 8.14 4.74 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 0.98 0.00 0.00 0.85 0.00 0.00 77 V 8.75 4.34 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 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.60 4.94 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 79 L 8.14 5.28 0.00 1.51 1.40 0.85 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 80 G 7.71 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 0.00 0.00 0.00 81 T 8.55 5.09 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 1.19 0.00 0.00 82 V 9.04 4.22 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 0.88 0.00 0.00 0.87 0.00 0.00 83 I 8.20 4.81 1.85 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 1.24 0.69 0.84 0.00 0.00 84 R 8.43 3.67 0.00 0.67 1.38 0.00 3.07 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.34 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 0.00 0.00 0.00 0.00 86 G 8.76 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 87 T 7.58 4.52 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 1.24 0.00 0.00 88 A 8.37 4.44 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 89 H 8.33 4.27 0.00 3.23 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.49 4.00 0.00 3.10 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 91 E 8.01 3.60 0.00 1.93 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 2.00 2.17 0.00 92 Y 7.40 4.34 0.00 2.99 2.88 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 93 V 7.71 3.67 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 1.04 0.00 0.00 0.78 0.00 0.00 94 A 7.89 4.07 0.96 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 95 G 8.13 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.66 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 97 A 7.87 4.24 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.26 4.17 0.00 3.74 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 99 N 8.55 4.46 0.00 2.79 2.83 0.00 0.00 6.96 8.33 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 0.00 100 G 7.75 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 0.00 101 L 8.02 4.00 0.00 1.89 1.82 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.01 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.28 3.96 0.00 3.97 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 0.00 104 V 7.79 3.55 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 1.03 0.00 0.00 0.98 0.00 0.00 105 A 7.86 4.35 1.45 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 0.00 106 Q 7.68 3.90 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.07 4.54 0.00 2.69 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 0.00 108 S 8.34 4.36 0.00 4.02 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 0.00 109 G 8.08 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 0.00 110 V 7.53 3.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.02 0.00 0.00 111 P 0.00 4.53 0.00 2.12 1.97 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.84 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 0.85 0.00 0.00 0.97 0.00 0.00 113 A 8.88 4.40 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 0.00 114 F 9.00 4.75 0.00 3.00 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 0.00 115 G 8.05 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 0.00 116 V 6.13 4.58 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 0.68 0.00 0.00 -0.01 0.00 0.00 117 L 8.84 4.25 0.00 1.60 1.58 0.92 0.25 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 0.00 118 T 8.74 5.18 4.45 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 1.24 0.00 0.00 119 T 8.18 4.62 4.40 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 1.24 0.00 0.00 120 E 9.89 4.12 0.00 1.94 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 2.30 0.00 121 S 7.58 4.70 0.00 3.95 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 0.00 122 I 8.23 3.67 1.84 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 1.47 0.69 0.86 0.00 0.00 123 E 8.22 3.91 0.00 1.93 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 2.30 2.50 0.00 124 Q 8.07 4.29 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.75 4.01 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 0.00 126 I 7.88 3.76 2.00 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 1.89 0.91 0.99 0.00 0.00 127 E 8.04 4.53 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 128 R 8.01 4.54 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.18 4.77 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 0.00 130 G 7.84 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 4.60 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 132 K 9.21 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.73 4.58 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 0.00 134 G 8.09 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 0.00 135 N 8.23 5.25 0.00 2.69 2.65 0.00 0.00 6.94 7.16 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 0.00 136 K 8.94 4.02 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.28 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 0.00 0.00 0.00 138 A 7.87 4.03 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 0.00 139 E 8.47 3.86 0.00 2.04 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 2.33 0.00 140 A 8.53 4.03 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 0.00 141 A 8.20 3.91 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 0.00 142 L 8.02 3.92 0.00 2.02 1.72 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.16 3.84 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 1.24 0.00 0.00 144 A 7.93 3.99 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 0.00 145 L 7.80 3.87 0.00 1.88 1.88 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.31 4.17 0.00 2.02 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 2.32 2.24 0.00 147 M 7.96 4.04 0.00 2.11 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 148 I 7.68 3.68 2.06 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 1.68 0.91 0.92 0.00 0.00 149 N 7.99 4.33 0.00 2.96 2.86 0.00 0.00 6.74 8.29 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 0.00 150 V 7.89 3.58 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 0.83 0.00 0.00 0.96 0.00 0.00 151 L 8.43 4.08 0.00 1.92 1.69 0.93 0.65 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 0.00 152 K 8.15 3.86 0.00 1.83 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.07 4.46 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 0.00 154 I 7.69 3.87 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 1.16 0.72 0.91 0.00 0.00