NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.3537 8.2549 120.8576 56.4335 30.2477 173.0058 12 T 4.4852 8.6958 121.4708 61.1907 70.7883 171.8488 13 Y 4.7787 9.6786 125.8107 57.4723 39.0691 175.1368 14 L 4.6751 8.8375 123.5020 55.0391 43.2727 176.0199 15 Y 4.6753 7.4423 116.9720 56.9869 42.1443 172.9104 16 R 5.1157 7.5355 124.4972 53.5566 31.9706 175.0486 17 G 3.9163 8.0866 116.3583 44.3107 0.0000 171.5357 18 R 4.0198 8.8138 118.0968 59.0094 30.2785 177.6107 19 I 4.3522 7.5043 106.9699 60.2185 38.4338 174.4368 20 L 4.8209 7.2654 120.0102 55.3834 43.6154 173.3921 21 N 5.4912 9.0438 116.8417 51.4521 42.8327 173.1136 22 L 5.2216 9.1851 124.3152 53.5090 44.5096 175.1254 23 A 5.0756 9.1091 127.0130 50.2191 23.5135 174.0658 24 L 5.1595 8.7678 117.7198 52.6493 45.7176 177.1519 25 E 4.5934 8.5753 120.3421 54.8632 31.1759 176.9730 26 G 3.7542 8.6435 111.3365 46.7374 0.0000 173.6709 27 R 3.8643 8.6822 118.8069 58.3894 31.6595 176.3633 28 Y 4.0189 7.7465 113.2127 59.0074 38.5733 175.3937 29 E 4.9259 8.8059 124.0628 55.2143 30.9186 175.4445 30 I 4.7352 8.8267 126.3658 59.5078 40.5502 175.0216 31 V 5.2702 8.8097 128.3833 60.7638 32.5555 174.6254 32 E 4.7362 8.7141 128.5635 56.5765 30.6518 175.6217 33 H 5.2043 9.8210 123.2075 54.0876 33.4202 173.1322 34 K 4.3945 8.5711 123.1349 55.6701 32.8048 175.2324 35 P 4.6836 0.0000 0.0000 63.0517 33.0301 174.6324 36 A 5.3677 9.2897 122.1607 50.4640 23.4671 174.9632 37 V 5.1474 8.7086 110.7308 59.9167 36.3222 175.1462 38 A 5.1361 9.1169 122.7253 50.5484 22.9484 175.3055 39 V 4.7501 8.7783 121.4149 61.1789 34.0534 174.8003 40 I 4.3907 9.1894 129.8147 59.8119 39.0521 174.6274 41 A 5.1116 8.3538 128.1419 50.0210 22.1504 174.3198 42 L 5.2282 8.6747 123.8688 53.3881 44.8802 176.0455 43 R 4.2947 9.3778 124.8771 56.4113 32.6365 174.8143 44 E 3.9208 9.7721 127.2911 57.6153 26.6844 175.8831 45 G 4.0294 8.2457 104.4953 45.6863 0.0000 172.9874 46 R 4.8877 7.8078 119.0358 54.5260 33.1386 174.8293 47 M 4.7342 9.2950 123.2635 54.3021 34.4157 175.1441 48 L 3.5835 7.9631 127.6934 53.9915 41.5621 175.9813 49 F 4.9247 8.5770 125.0320 56.4275 41.8379 174.9689 50 V 5.0513 9.0894 112.1910 60.4224 36.5381 174.6168 51 R 5.1152 9.2145 121.1010 54.9045 34.5274 174.3129 52 Q 4.8601 8.4484 119.1410 54.7062 31.8018 174.0208 53 M 4.0908 8.6918 120.7636 55.7451 33.0663 176.2585 54 R 4.5344 8.1795 125.1793 53.3378 30.6006 174.4830 55 P 4.2701 0.0000 0.0000 65.3537 31.5131 179.0329 56 A 4.1164 8.0984 120.9062 54.2632 18.6758 178.0763 57 V 4.2257 7.3345 103.6760 60.3781 32.8620 177.3135 58 G 4.0435 8.6843 108.0228 45.6189 0.0000 172.8797 59 L 4.5898 7.4991 117.6206 54.4414 43.6044 175.0341 60 A 4.8823 8.1278 121.6009 49.3832 18.5596 174.1614 61 P 4.5479 0.0000 0.0000 62.6819 33.2262 175.8158 62 L 4.3173 8.6837 123.4556 55.0725 43.2927 175.6050 63 E 5.5268 9.1870 124.9675 54.9040 34.4705 173.9563 64 I 4.8852 7.8217 111.9664 58.2656 40.9193 173.7204 65 P 4.8453 0.0000 0.0000 62.9012 31.9829 175.1216 66 A 4.8955 8.0793 124.2387 51.0577 22.6987 174.5490 67 G 4.4816 7.9290 104.9779 46.3332 0.0000 172.3044 68 L 4.9152 8.4867 119.7382 53.9313 42.7947 177.3363 69 I 4.0659 8.3383 124.6972 61.2633 37.7258 176.1817 70 E 4.4310 9.6621 127.7846 54.7183 31.0105 174.8109 71 P 4.3402 0.0000 0.0000 64.2946 31.6388 176.9879 72 G 3.8618 8.7896 107.9659 45.7473 0.0000 172.6451 73 E 4.6962 7.8373 119.9044 54.1146 31.8370 175.4577 74 D 4.8291 8.8080 125.4301 50.9142 42.9762 175.7879 75 P 4.0766 0.0000 0.0000 65.8520 31.1789 178.2348 76 L 3.0774 7.8802 117.9630 58.1022 41.9812 178.5295 77 E 3.8082 8.7869 118.3796 59.4361 29.3674 179.2449 78 A 4.1122 8.3029 120.6535 55.1245 18.3987 179.3558 79 A 3.7153 8.1084 119.4604 55.2503 18.3167 179.7488 80 R 3.6856 7.9143 117.2927 59.5238 30.1244 178.6276 81 R 3.8086 7.9721 118.3633 59.5144 30.1187 178.2658 82 E 3.9047 8.2935 118.5132 59.2656 29.4280 179.0729 83 L 3.8832 7.8547 120.0849 58.0841 42.0809 178.9862 84 A 4.0445 7.9038 120.5874 55.3916 18.1685 179.5793 85 E 3.9092 8.6469 116.0870 59.0602 29.7884 178.6875 86 E 4.3883 8.5908 118.5476 57.3634 28.7086 177.4502 87 T 4.4850 7.8540 106.0392 59.8960 70.3084 174.9896 88 G 4.0342 8.5350 110.7216 46.3103 0.0000 172.8743 89 L 5.4557 7.2537 118.2030 52.6356 44.8766 175.9357 90 S 4.7145 8.5780 114.5889 57.3913 66.9714 173.5285 91 G 3.9141 8.0695 105.6270 46.3442 0.0000 171.4913 92 D 4.8772 9.0868 121.4819 53.3269 41.9453 176.0139 93 L 5.8917 8.4060 123.6461 52.9139 43.8270 176.2686 94 T 4.7450 8.3089 118.4170 61.6470 72.4573 172.4557 95 Y 3.3439 8.7046 127.6162 57.8250 38.8600 174.4825 96 L 3.7343 7.1258 127.6491 54.7819 42.3368 176.9369 97 F 4.2962 5.5986 110.4618 56.6959 40.8926 171.4362 98 S 5.2368 8.7202 112.5728 57.8513 66.2156 172.4721 99 Y 4.7097 7.8987 116.5971 56.0662 41.4981 173.4673 100 F 4.9035 8.7578 119.8390 56.5778 39.4172 175.9962 101 V 4.0942 8.2180 118.3718 64.6417 32.0064 177.7773 102 S 4.7804 7.6418 112.6310 56.4213 63.2234 172.6210 103 P 4.4624 0.0000 0.0000 63.1370 31.3905 178.5196 104 G 3.9214 8.0812 108.6100 48.0477 0.0000 174.5171 105 F 5.0831 7.9082 111.0424 56.5705 41.4688 174.2096 106 T 5.1937 7.3524 113.0960 58.8037 70.7289 173.3853 107 D 4.8867 8.3523 124.0064 53.0244 40.8312 175.7026 108 E 4.0633 7.9938 121.8262 56.9309 30.7789 175.4537 109 K 4.6938 8.7050 127.4101 54.7779 35.5633 174.3054 110 T 4.8949 8.1958 123.9919 62.0448 71.2958 172.9641 111 H 5.1043 9.3406 123.7034 54.1990 31.0585 173.6911 112 V 4.7072 8.7947 124.8133 61.7979 33.0703 174.8298 113 F 5.0451 9.5985 125.5609 55.4876 43.3471 173.4348 114 L 5.0999 8.6654 122.1586 53.2849 44.4878 174.8220 115 A 5.2677 9.2731 128.0825 50.3181 21.2438 175.4406 116 E 4.6548 8.7214 120.2370 54.4300 34.4124 175.0268 117 N 4.3236 8.6792 115.7893 54.4067 35.9599 175.3277 118 L 4.4561 7.8070 116.9297 54.7560 43.0341 177.3500 119 K 4.6791 9.0419 121.9880 54.6767 36.1377 175.0413 120 E 4.1489 9.0173 124.3092 56.9244 29.5470 176.1512 121 V 4.3586 8.6848 126.9515 62.8464 32.8292 175.0885 122 E 4.6059 7.9405 118.3013 55.5723 32.3074 174.2979 123 A 4.3503 8.2625 127.5044 50.1931 19.8248 176.0819 *130 A 4.0804 8.0070 127.6857 52.8913 19.5319 178.4180 131 I 4.4957 7.1395 120.7142 58.0725 39.9974 174.5467 132 E 4.0344 9.2903 130.8387 56.0798 30.6514 175.5342 133 V 4.0548 8.4153 127.6891 62.5110 32.6936 175.5725 134 V 4.3833 8.7945 128.6662 60.6653 33.0437 173.4744 135 W 4.9853 8.7312 126.7320 56.5690 29.8992 175.3938 136 M 4.8994 9.3458 122.8679 54.4546 36.0252 174.0511 137 R 4.4734 8.6753 124.2041 55.0194 31.0049 175.6787 138 P 4.4166 0.0000 0.0000 66.1888 31.1477 178.4287 139 E 4.1502 8.1536 116.6567 59.4668 29.4447 179.0048 140 E 4.0726 8.6393 118.8428 58.9315 29.6000 179.0352 141 A 3.8547 7.9931 120.5066 55.0706 18.5397 179.1937 142 L 4.1488 8.3021 119.0077 58.3313 42.1648 178.9059 143 E 4.2064 8.1053 120.5715 58.8752 29.6070 178.8403 144 R 3.8743 8.4160 118.5423 59.4857 29.9984 178.6000 145 H 4.2609 7.9979 119.1336 58.9518 29.5803 177.4062 146 Q 3.6412 8.1625 119.6505 58.6368 28.2837 178.2277 147 R 4.3235 7.8196 116.6914 55.7050 30.4294 177.3233 148 G 3.8421 8.3891 107.7674 45.8938 0.0000 174.7699 149 E 4.1100 8.4482 121.4451 58.1410 29.8286 177.3988 150 V 4.4777 7.2052 116.2548 59.8956 35.3836 174.9641 151 E 4.7396 8.4509 120.9361 55.0794 32.5270 174.4928 152 F 5.7374 8.4844 118.4209 56.0577 42.7856 175.4474 153 S 4.7332 8.7621 116.8111 57.0644 65.3367 175.1283 154 A 3.9572 8.7156 121.2652 55.3448 17.9236 179.7072 155 T 3.9986 8.1067 108.0051 64.9864 68.7469 176.4911 156 G 3.8052 8.0877 108.9427 47.3207 0.0000 175.1180 157 L 3.0626 7.4251 123.2151 57.5372 41.9718 179.2121 158 V 3.6382 8.0575 118.4949 65.8291 31.3921 178.2141 159 G 3.6510 8.3482 105.8264 47.7493 0.0000 175.8000 160 V 3.7611 7.9522 121.1441 65.7554 31.6519 178.0103 161 L 4.0062 8.1958 118.9628 57.9756 41.4972 178.8165 162 Y 4.1959 8.5463 119.8124 60.9232 38.6722 177.5129 163 Y 4.0459 8.3823 120.2031 61.3222 38.7968 178.0094 164 H 3.9013 8.5887 115.2225 58.0476 28.7666 177.0169 165 A 3.8872 7.3422 121.7339 53.1542 19.1685 177.7696 166 F 4.7135 7.8601 111.5576 56.8940 40.7954 175.4705 167 L 4.5571 7.8225 119.6673 54.3344 42.4571 176.7307 168 R 3.9378 7.3790 123.1204 56.2767 30.1064 176.1918 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 11 R 8.25 4.35 0.00 1.75 1.99 0.00 3.05 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.23 0.00 12 T 8.70 4.49 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 1.26 0.00 0.00 13 Y 9.68 4.78 0.00 2.86 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 14 L 8.84 4.68 0.00 1.56 1.78 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.44 4.68 0.00 3.02 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 16 R 7.54 5.12 0.00 1.46 1.62 0.00 3.16 0.00 0.00 3.70 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.00 17 G 8.09 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 18 R 8.81 4.02 0.00 1.85 2.00 0.00 3.21 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 19 I 7.50 4.35 1.80 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.92 0.00 0.00 20 L 7.27 4.82 0.00 1.96 1.82 1.19 0.48 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 21 N 9.04 5.49 0.00 2.91 3.05 0.00 0.00 6.81 6.88 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 22 L 9.19 5.22 0.00 1.90 1.73 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 23 A 9.11 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.77 5.16 0.00 1.49 1.50 0.92 0.95 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 25 E 8.58 4.59 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 26 G 8.64 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 27 R 8.68 3.86 0.00 1.60 1.19 0.00 3.26 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 28 Y 7.75 4.02 0.00 3.09 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 29 E 8.81 4.93 0.00 1.90 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 2.25 2.32 0.00 30 I 8.83 4.74 1.85 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 1.17 0.94 0.91 0.00 0.00 31 V 8.81 5.27 2.21 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 1.30 0.00 0.00 1.28 0.00 0.00 32 E 8.71 4.74 0.00 2.07 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 2.46 2.39 0.00 33 H 9.82 5.20 0.00 3.08 3.07 0.00 5.76 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 34 K 8.57 4.39 0.00 1.70 1.75 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.41 7.81 35 P 0.00 4.68 0.00 2.13 2.20 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 36 A 9.29 5.37 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 37 V 8.71 5.15 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 0.87 0.00 0.00 0.89 0.00 0.00 38 A 9.12 5.14 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 39 V 8.78 4.75 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 0.80 0.00 0.00 0.93 0.00 0.00 40 I 9.19 4.39 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.97 0.00 0.00 41 A 8.35 5.11 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 42 L 8.67 5.23 0.00 1.73 1.67 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.38 4.29 0.00 1.88 1.22 0.00 3.23 0.00 0.00 2.68 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.49 0.00 44 E 9.77 3.92 0.00 1.99 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 2.15 2.15 0.00 45 G 8.25 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 46 R 7.81 4.89 0.00 2.03 2.22 0.00 3.11 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 47 M 9.29 4.73 0.00 1.28 1.60 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.51 0.00 48 L 7.96 3.58 0.00 0.27 1.04 -0.31 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.58 4.92 0.00 3.27 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 50 V 9.09 5.05 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 0.63 0.00 0.00 0.97 0.00 0.00 51 R 9.21 5.12 0.00 1.82 1.75 0.00 3.22 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 52 Q 8.45 4.86 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 53 M 8.69 4.09 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 54 R 8.18 4.53 0.00 2.04 1.86 0.00 3.39 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 55 P 0.00 4.27 0.00 2.23 2.33 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 56 A 8.10 4.12 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 57 V 7.33 4.23 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 0.95 0.00 0.00 1.03 0.00 0.00 58 G 8.68 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 0.00 0.00 0.00 59 L 7.50 4.59 0.00 1.87 1.75 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.13 4.88 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 61 P 0.00 4.55 0.00 2.16 2.11 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 62 L 8.68 4.32 0.00 1.71 1.74 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.19 5.53 0.00 2.13 1.89 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 2.32 2.49 0.00 64 I 7.82 4.89 1.97 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 1.29 0.69 0.86 0.00 0.00 65 P 0.00 4.85 0.00 2.03 2.01 0.00 3.98 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 1.98 1.87 0.00 66 A 8.08 4.90 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 67 G 7.93 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.49 4.92 0.00 1.54 1.61 1.02 0.82 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 69 I 8.34 4.07 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.86 0.00 0.00 70 E 9.66 4.43 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 71 P 0.00 4.34 0.00 2.15 2.04 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 72 G 8.79 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 73 E 7.84 4.70 0.00 1.91 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 2.15 2.14 0.00 74 D 8.81 4.83 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.08 0.00 2.24 2.22 0.00 3.51 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 76 L 7.88 3.08 0.00 1.76 1.74 0.78 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.79 3.81 0.00 2.13 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 2.27 2.33 0.00 78 A 8.30 4.11 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 79 A 8.11 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.91 3.69 0.00 1.75 2.03 0.00 3.06 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 81 R 7.97 3.81 0.00 1.86 2.01 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 82 E 8.29 3.90 0.00 2.09 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 2.46 2.50 0.00 83 L 7.85 3.88 0.00 1.72 1.77 0.87 1.03 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 84 A 7.90 4.04 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 85 E 8.65 3.91 0.00 1.89 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 2.33 2.61 0.00 86 E 8.59 4.39 0.00 2.03 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 2.53 0.00 87 T 7.85 4.49 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 1.09 0.00 0.00 88 G 8.53 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 89 L 7.25 5.46 0.00 1.67 1.62 1.13 0.83 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 90 S 8.58 4.71 0.00 3.84 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 91 G 8.07 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 92 D 9.09 4.88 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.41 5.89 0.00 1.54 1.69 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.31 4.74 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 1.18 0.00 0.00 95 Y 8.70 3.34 0.00 2.67 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 96 L 7.13 3.73 0.00 0.27 0.13 -0.37 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 97 F 5.60 4.30 0.00 2.86 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 98 S 8.72 5.24 0.00 3.62 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 99 Y 7.90 4.71 0.00 3.02 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 0.00 100 F 8.76 4.90 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 0.00 101 V 8.22 4.09 2.21 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 0.74 0.00 0.00 0.99 0.00 0.00 102 S 7.64 4.78 0.00 3.95 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 0.00 103 P 0.00 4.46 0.00 2.08 2.00 0.00 3.50 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 104 G 8.08 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 0.00 105 F 7.91 5.08 0.00 3.31 3.25 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 0.00 106 T 7.35 5.19 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 0.59 0.00 0.00 107 D 8.35 4.89 0.00 2.74 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 0.00 108 E 7.99 4.06 0.00 1.86 1.78 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 2.22 2.17 0.00 109 K 8.70 4.69 0.00 1.56 1.45 0.00 0.98 0.00 0.00 1.58 0.00 0.00 2.45 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.87 0.61 7.81 110 T 8.20 4.89 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 1.20 0.00 0.00 111 H 9.34 5.10 0.00 3.32 3.52 0.00 5.80 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.79 4.71 1.88 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 0.93 0.00 0.00 1.26 0.00 0.00 113 F 9.60 5.05 0.00 2.91 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 0.00 114 L 8.67 5.10 0.00 1.52 1.40 1.00 1.04 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 0.00 115 A 9.27 5.27 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 0.00 116 E 8.72 4.65 0.00 1.92 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 2.26 2.30 0.00 117 N 8.68 4.32 0.00 2.97 2.88 0.00 0.00 6.98 7.85 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 0.00 118 L 7.81 4.46 0.00 1.74 1.72 1.21 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.04 4.68 0.00 1.75 1.86 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.37 7.81 120 E 9.02 4.15 0.00 2.02 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 2.50 0.00 121 V 8.68 4.36 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 0.79 0.00 0.00 0.99 0.00 0.00 122 E 7.94 4.61 0.00 2.02 1.75 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 2.20 2.31 0.00 123 A 8.26 4.35 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 *130 A 8.01 4.08 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 0.00 131 I 7.14 4.50 1.88 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 1.27 0.91 0.00 0.00 132 E 9.29 4.03 0.00 2.07 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 2.33 2.28 0.00 133 V 8.42 4.05 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 0.63 0.00 0.00 0.91 0.00 0.00 134 V 8.79 4.38 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 0.99 0.00 0.00 135 W 8.73 4.99 0.00 3.25 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 0.00 136 M 9.35 4.90 0.00 2.33 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 137 R 8.68 4.47 0.00 1.96 2.08 0.00 3.53 0.00 0.00 3.34 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.67 0.00 138 P 0.00 4.42 0.00 1.43 1.99 0.00 3.03 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.86 0.00 139 E 8.15 4.15 0.00 2.13 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 0.00 2.54 2.69 0.00 140 E 8.64 4.07 0.00 2.13 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 2.37 2.50 0.00 141 A 7.99 3.85 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 0.00 142 L 8.30 4.15 0.00 2.00 1.99 1.06 0.83 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 0.00 143 E 8.11 4.21 0.00 2.26 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 0.00 2.31 2.22 0.00 144 R 8.42 3.87 0.00 1.86 1.86 0.00 3.08 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 145 H 8.00 4.26 0.00 2.52 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.16 3.64 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 147 R 7.82 4.32 0.00 1.98 1.93 0.00 3.23 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 148 G 8.39 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 0.00 0.00 0.00 149 E 8.45 4.11 0.00 1.86 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 2.29 2.36 0.00 150 V 7.21 4.48 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 0.52 0.00 0.00 0.72 0.00 0.00 151 E 8.45 4.74 0.00 1.88 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 2.27 2.25 0.00 152 F 8.48 5.74 0.00 2.83 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 0.00 153 S 8.76 4.73 0.00 4.03 4.10 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 0.00 154 A 8.72 3.96 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 0.00 155 T 8.11 4.00 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 1.37 0.00 0.00 156 G 8.09 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.43 3.06 0.00 1.43 1.62 0.57 0.83 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 0.00 158 V 8.06 3.64 2.29 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 1.21 0.00 0.00 0.67 0.00 0.00 159 G 8.35 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 0.00 160 V 7.95 3.76 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 1.25 0.00 0.00 1.17 0.00 0.00 161 L 8.20 4.01 0.00 1.73 1.70 0.85 0.90 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 0.00 162 Y 8.55 4.20 0.00 3.44 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 0.00 163 Y 8.38 4.05 0.00 3.25 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 0.00 164 H 8.59 3.90 0.00 3.31 3.31 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.34 3.89 0.47 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 0.00 166 F 7.86 4.71 0.00 2.29 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 0.00 167 L 7.82 4.56 0.00 1.45 1.72 1.28 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.38 3.94 0.00 1.54 1.67 0.00 3.17 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.84 0.00 * Residues marked with a * may have inaccurate shift predictions.