NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8612 8.3549 109.7289 44.9469 0.0000 173.3430 0 H 4.0736 8.3441 116.3756 55.6799 29.0519 174.3675 1 M 4.3541 9.1286 123.4497 54.9169 33.5603 175.8716 2 N 4.5025 8.3489 118.2282 53.4696 39.3750 175.3929 3 T 4.2485 8.2373 116.2984 62.1120 68.2270 174.4004 4 T 4.4130 8.1562 113.7843 61.5273 69.7151 174.6877 5 L 4.4084 7.5295 122.4179 54.2273 42.9823 176.6256 6 F 4.2659 9.0215 122.7803 59.0517 40.2666 173.7692 7 R 5.0345 7.7232 124.3905 53.9944 32.7962 175.0940 8 W 4.8878 9.0086 133.4324 54.7698 33.5062 172.5734 9 P 4.6968 0.0000 0.0000 62.6181 32.1429 175.9875 10 V 4.0911 8.4046 121.6898 61.3427 34.9513 173.5811 11 R 4.5116 8.3008 128.0940 54.9998 31.6377 175.3834 12 V 4.1348 7.9921 126.1849 62.2689 32.7980 174.9302 13 Y 5.0066 8.9764 125.2332 55.8436 40.9269 176.2090 14 Y 4.2312 8.8142 118.4047 61.4522 37.9847 179.2332 15 E 4.1009 8.4953 116.1157 59.0171 29.7678 177.4822 16 D 4.6025 8.7869 118.4813 54.5037 41.4943 176.4980 17 T 4.8312 7.5244 109.4642 60.2764 70.3998 172.7743 18 D 4.8852 8.5408 120.4811 50.9594 42.4810 176.2982 19 A 4.1339 8.6690 121.3379 54.8123 18.2036 178.8532 20 G 3.6481 8.6396 104.1647 46.6674 0.0000 174.8874 21 G 3.9297 8.9380 108.4160 45.2939 0.0000 172.8442 22 V 4.7305 7.1705 111.8232 58.9063 36.7577 174.5500 23 V 4.0777 8.2891 122.0921 62.9978 31.9469 175.2984 24 Y 4.6221 9.2003 130.0817 57.2354 39.2125 176.6038 25 H 4.2290 8.6076 121.4315 58.5379 28.7939 177.2292 26 A 4.0035 6.2755 121.0628 54.3932 17.7470 179.5069 27 S 3.8282 7.7574 114.2736 61.7458 62.6545 176.2823 28 Y 3.8412 7.1090 118.0788 60.8398 37.6836 178.7357 29 V 3.8407 7.8285 118.5561 66.0610 31.6881 177.8163 30 A 4.0770 7.7565 120.6058 55.1514 18.2453 179.4662 31 F 4.5311 8.1469 116.3698 61.2749 38.8769 177.4964 32 Y 4.3571 8.4239 116.5448 61.0845 37.6438 178.3618 33 E 3.9114 8.2512 119.9227 59.3232 29.7232 179.0296 34 R 3.8516 8.2520 117.8653 59.2621 30.1223 178.9082 35 A 3.9468 8.1439 120.4595 55.1947 18.3706 179.9344 36 R 3.6992 8.0001 116.5510 59.5594 30.0469 179.4144 37 T 3.7893 7.8180 115.5015 66.7402 68.3940 176.6369 38 E 3.6992 8.2144 120.8468 59.1120 29.3464 179.0645 39 M 2.5500 8.1331 118.8321 58.1046 32.2212 178.3199 40 L 4.3134 7.9883 119.2455 57.8232 41.7977 179.4612 41 R 3.8950 7.9524 118.7873 59.6453 29.7870 177.9466 42 H 4.3562 8.0315 117.1971 58.8492 29.6749 175.8503 43 H 4.5142 7.3776 115.0520 55.3548 29.0068 175.1659 44 H 4.1117 8.1108 116.2628 56.4164 26.9410 176.3552 45 F 4.6573 8.0548 121.2759 56.3269 37.3718 175.7824 46 S 4.5114 7.5857 119.6098 57.7493 65.7675 175.1860 47 Q 4.0641 8.5837 120.6318 59.1024 28.3622 178.9583 48 Q 3.9662 8.0894 119.9757 59.1710 29.0589 178.0474 49 A 4.0684 7.9801 121.7596 54.9777 18.3784 179.6704 50 L 3.9988 8.1784 117.6290 58.1953 41.6547 179.2891 51 M 3.9658 8.1676 117.9062 58.6768 31.9194 178.0291 52 A 4.0153 7.8373 119.8225 54.4710 18.4791 178.1133 53 E 4.3915 7.6313 115.6542 55.0265 31.0232 176.1824 54 R 3.7860 7.9852 113.9566 57.0243 28.1486 176.4581 55 V 4.5664 7.9113 114.7827 61.1296 35.2114 175.3041 56 A 4.5283 8.3725 127.4235 50.4238 22.9394 174.6817 57 F 5.4702 8.6421 119.6236 55.7611 41.3849 175.3255 58 V 4.5018 8.5976 122.7777 60.8168 34.6241 174.6090 59 V 4.0732 8.5108 127.7626 63.2125 31.4102 175.1190 60 R 4.4625 9.1139 128.6715 57.6067 31.7449 176.3177 61 K 4.6648 7.6362 118.3161 55.2711 35.9313 174.4997 62 M 5.1650 8.5181 125.7491 54.3392 35.4349 173.8046 63 T 4.5843 8.7476 122.6478 61.6606 71.5479 173.1352 64 V 4.5188 8.3349 125.9079 60.8748 34.2272 174.1649 65 E 4.3946 8.7169 127.4997 54.6967 31.8138 174.3795 66 Y 4.3837 8.2711 122.2673 56.9448 39.2747 174.1427 67 Y 4.9014 9.1459 120.3050 59.1453 40.0168 176.0391 68 A 4.7833 7.9042 118.6618 49.6778 22.4638 173.4641 69 P 4.9490 0.0000 0.0000 62.3154 33.1872 174.9754 70 A 5.0090 8.7304 121.2453 50.4366 22.5501 175.4541 71 R 4.8514 9.5338 117.7617 53.4304 35.0754 174.8757 72 L 3.7998 8.3903 121.0822 57.2596 41.9729 176.4657 73 D 4.4244 8.6938 123.8334 54.3964 40.7549 173.4233 74 D 4.4940 7.8199 117.9734 54.7926 42.2078 174.9223 75 M 4.6172 8.4253 122.0621 54.2560 33.3306 175.2743 76 L 4.7887 8.9728 126.6262 53.2534 45.3172 175.1332 77 E 4.8516 8.7562 120.4439 54.7213 32.7853 174.0498 78 I 4.9844 8.9409 128.3100 59.9937 39.6547 174.5298 79 Q 5.1996 9.5630 126.3155 54.6998 30.9360 174.9100 80 T 5.4649 8.9424 119.9066 62.0995 72.7116 173.1809 81 E 4.7669 8.9559 121.5207 55.2257 33.6063 174.4250 82 I 3.6589 8.0212 122.9934 60.5858 36.9814 175.7796 83 T 4.1164 8.7137 125.8104 65.0672 68.0632 174.8077 84 S 4.8001 7.6945 114.9597 56.7186 66.9810 172.1760 85 M 5.0011 8.5237 120.4850 53.6686 34.9855 175.3895 86 R 4.7580 8.7281 126.1120 55.2229 32.2028 175.5395 87 G 3.7706 8.8509 103.1516 48.8992 0.0000 175.2980 88 T 4.8517 7.9767 109.5265 59.1461 70.5684 172.5801 89 S 5.0967 7.9856 115.6345 58.4595 66.8050 172.1538 90 L 4.7799 8.8067 118.8543 54.7852 43.9617 174.0605 91 V 4.6837 8.6394 120.8144 61.2815 34.0344 174.1875 92 F 4.9703 9.3813 126.8300 56.1657 41.3554 174.6746 93 T 4.9846 8.8911 120.6869 62.0070 70.6981 173.6035 94 Q 5.3180 9.2156 124.9799 54.4561 33.5262 174.5996 95 R 5.2631 9.1600 118.7995 54.9994 35.4459 174.1065 96 I 4.9572 9.0379 123.4210 59.7267 40.0878 175.1871 97 V 5.5166 8.9023 119.4817 58.6655 36.0580 175.3489 98 N 5.0160 8.3790 119.6882 51.5187 39.9259 175.1955 99 A 4.1053 8.7878 120.7350 54.7549 18.3157 177.8095 100 E 4.3267 9.0565 115.9744 55.4366 29.8996 176.3362 101 N 4.5058 8.5299 113.5464 54.7380 36.8623 174.1155 102 T 4.0838 7.4652 116.7531 62.8803 68.9590 173.7931 103 L 4.3607 8.4734 128.6908 55.2117 42.5254 176.1347 104 L 4.5145 9.3318 128.0238 57.3211 42.9870 176.5211 105 N 4.8484 7.7541 113.6000 52.2854 40.3365 172.9360 106 E 5.3294 8.9251 116.0968 54.4184 33.7003 173.9829 107 A 4.9241 8.8744 121.4489 50.2325 23.4089 174.7129 108 E 4.8612 8.8874 120.9567 54.3547 32.6656 174.8139 109 V 4.7360 8.9925 127.8511 61.0166 34.3309 173.8434 110 L 4.9073 8.9841 131.4725 54.0627 43.3705 175.5303 111 V 4.9781 8.7824 119.7120 59.6824 35.2657 175.0575 112 V 4.7898 8.7228 117.1840 59.7657 34.6991 174.4469 113 C 4.9411 9.4049 125.7476 58.9084 32.8826 172.5099 114 V 4.7667 8.8959 125.7310 61.0718 35.2875 174.0881 115 D 4.6200 9.0283 126.7523 52.5699 40.9405 175.0399 116 P 4.2017 0.0000 0.0000 65.6636 31.6740 177.8845 117 L 4.1051 7.7226 117.1821 57.6294 41.5684 178.5034 118 K 4.4888 8.1165 115.3046 56.0398 33.6765 175.2120 119 M 3.2153 8.0234 114.1451 56.1502 29.7920 176.4940 120 K 4.6278 7.6886 116.1833 53.7988 34.7801 174.7829 121 P 4.9028 0.0000 0.0000 63.5710 31.7492 175.5650 122 R 4.7943 9.2211 118.0120 54.3340 33.3212 174.2143 123 A 4.4009 8.5221 121.9778 51.6921 19.2541 177.5078 124 L 4.0962 8.3461 121.3268 54.4347 42.4167 176.0616 125 P 4.4102 0.0000 0.0000 62.0376 32.3031 177.2697 126 K 3.9230 8.8312 122.3527 59.7980 32.0817 179.1589 127 S 4.2483 8.1750 114.0003 61.6299 62.7752 176.6358 128 I 3.5618 7.5741 122.7581 64.0477 36.6120 178.3024 129 V 3.6156 7.8284 118.8780 66.1326 31.1248 177.9650 130 A 3.8093 8.2507 119.7430 54.8867 18.2391 178.9686 131 E 3.9350 7.9551 117.0686 58.7486 29.7502 178.0516 132 F 4.7582 7.6562 115.0331 56.1247 39.6979 175.9510 133 K 4.3092 6.9930 118.3202 56.8471 33.4447 176.8388 134 Q 4.1425 8.3455 120.8809 56.8790 28.7757 173.7151 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 G 8.35 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 0 H 8.34 4.07 0.00 3.25 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.13 4.35 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 2 N 8.35 4.50 0.00 2.71 2.74 0.00 0.00 6.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.24 4.25 4.26 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 1.30 0.00 0.00 4 T 8.16 4.41 4.28 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 1.23 0.00 0.00 5 L 7.53 4.41 0.00 1.67 1.95 1.03 0.85 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 6 F 9.02 4.27 0.00 3.30 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 7 R 7.72 5.03 0.00 1.47 1.66 0.00 3.31 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 8 W 9.01 4.89 0.00 3.46 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 9 P 0.00 4.70 0.00 1.74 1.71 0.00 2.56 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.48 0.00 10 V 8.40 4.09 1.61 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 -0.13 0.00 0.00 0.77 0.00 0.00 11 R 8.30 4.51 0.00 1.58 1.43 0.00 3.21 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.70 0.00 12 V 7.99 4.13 2.19 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 0.96 0.00 0.00 1.00 0.00 0.00 13 Y 8.98 5.01 0.00 3.11 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 14 Y 8.81 4.23 0.00 3.18 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 15 E 8.50 4.10 0.00 2.13 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 2.48 2.49 0.00 16 D 8.79 4.60 0.00 2.92 2.76 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 17 T 7.52 4.83 4.28 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 1.18 0.00 0.00 18 D 8.54 4.89 0.00 2.84 2.76 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 19 A 8.67 4.13 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 20 G 8.64 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 21 G 8.94 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 0.00 0.00 0.00 22 V 7.17 4.73 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 0.80 0.00 0.00 0.98 0.00 0.00 23 V 8.29 4.08 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 -0.13 0.00 0.00 0.93 0.00 0.00 24 Y 9.20 4.62 0.00 2.95 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 25 H 8.61 4.23 0.00 2.77 3.07 0.00 5.51 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 6.28 4.00 1.16 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 0.00 0.00 27 S 7.76 3.83 0.00 3.51 3.22 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 28 Y 7.11 3.84 0.00 3.33 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 29 V 7.83 3.84 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 1.11 0.00 0.00 1.05 0.00 0.00 30 A 7.76 4.08 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 31 F 8.15 4.53 0.00 3.12 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 32 Y 8.42 4.36 0.00 3.27 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.25 3.91 0.00 2.09 2.17 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 2.28 2.51 0.00 34 R 8.25 3.85 0.00 2.19 1.96 0.00 3.42 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.05 0.00 35 A 8.14 3.95 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.00 3.70 0.00 1.67 1.19 0.00 2.21 0.00 0.00 2.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.67 0.00 37 T 7.82 3.79 4.28 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 1.13 0.00 0.00 38 E 8.21 3.70 0.00 1.39 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 1.51 1.47 0.00 39 M 8.13 2.55 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.48 0.00 40 L 7.99 4.31 0.00 1.96 2.11 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.95 3.89 0.00 1.95 1.99 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 42 H 8.03 4.36 0.00 2.87 3.28 0.00 5.98 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.38 4.51 0.00 3.68 3.27 0.00 5.98 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.11 4.11 0.00 2.93 3.27 0.00 5.64 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.05 4.66 0.00 3.40 3.14 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 46 S 7.59 4.51 0.00 4.07 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 47 Q 8.58 4.06 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 48 Q 8.09 3.97 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 49 A 7.98 4.07 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 50 L 8.18 4.00 0.00 1.89 1.84 1.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.17 3.97 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 52 A 7.84 4.02 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 53 E 7.63 4.39 0.00 2.12 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 2.28 2.37 0.00 54 R 7.99 3.79 0.00 1.92 1.91 0.00 3.15 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 55 V 7.91 4.57 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 0.11 0.00 0.00 0.88 0.00 0.00 56 A 8.37 4.53 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 0.00 0.00 0.00 0.00 0.00 57 F 8.64 5.47 0.00 2.96 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 58 V 8.60 4.50 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 1.06 0.00 0.00 0.95 0.00 0.00 59 V 8.51 4.07 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 0.78 0.00 0.00 0.90 0.00 0.00 60 R 9.11 4.46 0.00 1.79 2.07 0.00 3.37 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 61 K 7.64 4.66 0.00 1.82 1.55 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.42 7.81 62 M 8.52 5.17 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 63 T 8.75 4.58 4.16 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 1.14 0.00 0.00 64 V 8.33 4.52 1.83 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 -0.04 0.00 0.00 0.79 0.00 0.00 65 E 8.72 4.39 0.00 1.55 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 2.11 2.10 0.00 66 Y 8.27 4.38 0.00 2.70 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 67 Y 9.15 4.90 0.00 3.08 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 68 A 7.90 4.78 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 69 P 0.00 4.95 0.00 2.17 2.14 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 70 A 8.73 5.01 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 71 R 9.53 4.85 0.00 1.68 1.79 0.00 3.17 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 72 L 8.39 3.80 0.00 1.39 1.46 0.23 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.69 4.42 0.00 2.69 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 74 D 7.82 4.49 0.00 2.71 2.53 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 75 M 8.43 4.62 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 76 L 8.97 4.79 0.00 1.53 1.54 1.14 0.82 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 77 E 8.76 4.85 0.00 1.92 1.70 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 2.16 2.17 0.00 78 I 8.94 4.98 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 1.12 0.00 0.00 79 Q 9.56 5.20 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 80 T 8.94 5.46 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 81 E 8.96 4.77 0.00 2.02 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 0.00 2.36 2.28 0.00 82 I 8.02 3.66 1.39 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 -0.30 -0.31 0.41 0.00 0.00 83 T 8.71 4.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 84 S 7.69 4.80 0.00 3.79 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 85 M 8.52 5.00 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 86 R 8.73 4.76 0.00 1.67 1.78 0.00 3.25 0.00 0.00 3.22 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 87 G 8.85 3.77 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 0.00 0.00 0.00 88 T 7.98 4.85 4.38 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 1.23 0.00 0.00 89 S 7.99 5.10 0.00 4.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.81 4.78 0.00 1.60 1.58 0.09 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.64 4.68 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 0.98 0.00 0.00 0.87 0.00 0.00 92 F 9.38 4.97 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 93 T 8.89 4.98 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 1.21 0.00 0.00 94 Q 9.22 5.32 0.00 1.65 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 95 R 9.16 5.26 0.00 1.80 1.83 0.00 3.10 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 96 I 9.04 4.96 1.95 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 1.09 0.48 0.98 0.00 0.00 97 V 8.90 5.52 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 0.67 0.00 0.00 0.99 0.00 0.00 98 N 8.38 5.02 0.00 2.84 3.01 0.00 0.00 5.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.79 4.11 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 0.00 100 E 9.06 4.33 0.00 1.99 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 2.21 2.28 0.00 101 N 8.53 4.51 0.00 2.91 2.99 0.00 0.00 6.95 7.42 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 0.00 102 T 7.47 4.08 4.43 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 1.25 0.00 0.00 103 L 8.47 4.36 0.00 1.58 1.59 1.10 1.03 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 0.00 104 L 9.33 4.51 0.00 1.67 1.83 1.03 0.53 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 0.00 105 N 7.75 4.85 0.00 2.37 2.54 0.00 0.00 5.72 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.93 5.33 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 107 A 8.87 4.92 0.27 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 0.00 108 E 8.89 4.86 0.00 1.95 1.71 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 2.13 2.16 0.00 109 V 8.99 4.74 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 0.64 0.00 0.00 0.80 0.00 0.00 110 L 8.98 4.91 0.00 1.75 1.64 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.78 4.98 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 0.71 0.00 0.00 0.94 0.00 0.00 112 V 8.72 4.79 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 0.77 0.00 0.00 1.01 0.00 0.00 113 C 9.40 4.94 0.00 3.17 3.13 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 0.00 114 V 8.90 4.77 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 0.96 0.00 0.00 0.99 0.00 0.00 115 D 9.03 4.62 0.00 2.69 2.53 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 0.00 116 P 0.00 4.20 0.00 2.05 2.11 0.00 3.71 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 1.98 2.09 0.00 117 L 7.72 4.11 0.00 1.69 1.74 0.91 1.30 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 0.00 118 K 8.12 4.49 0.00 1.64 1.69 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.44 7.81 119 M 8.02 3.22 0.00 2.16 2.10 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 2.51 2.47 0.00 120 K 7.69 4.63 0.00 1.65 1.69 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.38 7.81 121 P 0.00 4.90 0.00 1.93 2.02 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 122 R 9.22 4.79 0.00 1.76 1.94 0.00 2.77 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 123 A 8.52 4.40 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 0.00 124 L 8.35 4.10 0.00 1.56 1.67 1.10 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 0.00 125 P 0.00 4.41 0.00 2.18 2.12 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 126 K 8.83 3.92 0.00 1.88 1.84 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.60 7.81 127 S 8.18 4.25 0.00 4.38 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 0.00 128 I 7.57 3.56 2.03 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.90 1.00 0.00 0.00 129 V 7.83 3.62 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 1.02 0.00 0.00 0.95 0.00 0.00 130 A 8.25 3.81 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 0.00 131 E 7.96 3.93 0.00 2.18 1.81 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 2.27 1.47 0.00 132 F 7.66 4.76 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 0.00 133 K 6.99 4.31 0.00 1.83 1.98 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.38 7.81 134 Q 8.35 4.14 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00