NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8348 8.3544 109.7209 44.8822 0.0000 174.0268 4 D 4.1505 8.5388 124.2131 53.4077 42.4790 175.2402 5 K 3.8537 9.6066 128.7593 59.7982 32.4984 178.4055 6 K 3.9890 8.1521 118.1881 58.8894 32.0181 179.3094 7 V 3.5553 7.6788 118.2409 66.0891 31.5284 177.8941 8 I 3.6868 7.7933 119.4771 64.4611 36.9216 178.1593 9 Q 3.9530 8.0231 120.2897 59.5211 28.8461 178.0660 10 H 4.1443 8.3650 117.3146 58.8969 28.6481 177.8399 11 L 4.0320 8.3691 121.1983 57.9021 41.4666 179.3399 12 N 4.3698 8.7078 116.7020 55.7482 38.5028 177.4823 13 K 3.9655 7.9604 121.6248 59.2984 32.2011 178.9761 14 I 3.6840 7.9270 120.1598 64.2414 37.0282 177.7612 15 L 4.0153 8.2273 121.7527 58.5398 41.6911 179.3708 16 G 3.6265 8.2253 105.1875 47.8870 0.0000 175.3559 17 N 4.3595 8.1058 118.2416 56.1553 38.5135 177.2503 18 E 3.9744 8.3655 120.2047 59.4154 29.4283 179.4031 19 L 3.9510 8.0712 118.9909 57.8186 41.6696 179.6879 20 I 3.6263 7.5147 119.2907 64.2533 37.0769 178.3675 21 A 3.2278 7.8720 121.4766 54.8664 18.1092 179.2621 22 I 3.5484 7.8312 118.7319 65.1322 37.2147 178.3361 23 N 4.3653 7.8354 116.8566 56.1068 38.2864 177.4201 24 Q 3.8378 8.0129 120.9730 59.5695 29.1478 178.0182 25 Y 4.7310 8.0575 119.4158 60.5834 37.9147 178.4150 26 F 3.9064 8.5853 121.8080 61.0662 39.5164 177.0007 27 L 3.9832 8.3005 120.1067 58.5485 41.9351 178.5945 28 H 3.8801 8.3997 116.4117 58.7289 28.4948 177.6802 29 S 4.3520 8.4546 115.2373 61.7279 62.2388 176.5999 30 R 3.8792 7.7756 120.3813 59.0765 29.6826 179.0420 31 M 3.4813 7.7666 118.8991 57.9364 31.7449 178.7896 32 W 4.5147 7.9035 119.0775 59.7120 29.1960 178.4138 33 N 4.3581 8.6190 116.9567 56.4860 37.8232 176.7559 34 D 4.3536 8.0876 118.3650 57.2678 41.2803 177.9702 35 W 4.8349 7.8581 117.4659 57.6265 29.2947 177.3109 36 G 4.0364 8.2811 107.0993 45.7371 0.0000 175.3318 37 L 4.6531 8.2202 121.7953 53.4558 38.5849 177.2682 38 K 4.0313 8.3720 121.5660 59.0128 32.5924 179.1968 39 R 3.8906 7.7965 119.3882 59.2319 29.9492 178.5218 40 L 3.8126 7.7532 118.5052 57.5699 41.5408 179.4003 41 G 3.8156 8.3384 105.6642 48.0261 0.0000 175.5489 42 A 4.0916 8.4277 123.5878 54.8913 18.4971 179.2473 43 H 3.9870 8.3454 116.9945 59.3014 29.5582 177.1963 44 E 4.0068 8.5602 121.4166 59.1594 29.5134 178.0462 45 Y 4.0470 8.0971 119.7963 61.1501 38.8434 177.9655 46 H 4.0897 8.1645 116.8035 58.8091 28.8517 177.7122 47 E 3.8970 8.0048 120.5034 59.0927 29.1108 179.2999 48 S 4.2645 8.0931 113.3324 61.4530 62.5520 176.0862 49 I 3.5643 7.4838 122.4385 64.5628 36.7842 177.8628 50 D 4.3415 7.9366 119.4669 57.7676 40.7257 179.0882 51 E 4.0234 8.1508 118.3036 59.4266 29.4262 179.2005 52 M 4.0587 8.2961 119.2061 58.3589 32.0772 178.9469 53 K 4.0168 8.0814 118.5638 59.6837 32.1648 179.0691 54 H 4.2429 8.3949 116.4216 58.8378 28.6013 177.6052 55 A 3.9754 8.1274 122.4540 55.1384 18.1439 178.8981 56 D 4.2794 8.1011 116.4505 57.7758 41.3084 178.8819 57 K 3.9774 7.9873 118.4523 59.3309 32.0102 179.3456 58 L 4.0248 8.1680 119.4167 57.9205 41.5787 179.7040 59 I 3.7465 8.1994 120.0750 64.3578 37.0123 178.2803 60 E 3.9813 8.4158 119.6525 59.4770 29.3256 179.4828 61 R 4.0077 8.1468 118.6040 59.3974 30.0790 178.5281 62 I 3.7168 7.9122 119.5862 64.4714 37.0794 178.3269 63 L 3.9783 7.8761 119.6250 57.8939 41.2588 179.3297 64 F 4.2918 8.2542 119.3403 61.1105 39.3413 176.1763 65 L 4.0070 7.6025 115.6379 53.9441 41.5699 176.1551 66 E 3.6731 8.1983 118.8498 57.2838 28.1358 174.1145 67 G 4.0031 8.0588 105.9524 43.3658 0.0000 173.3893 68 L 4.5704 8.0105 118.8515 51.9284 42.6377 175.2686 69 P 4.3396 0.0000 0.0000 62.6268 31.7247 175.8683 70 N 4.6454 9.3359 122.7606 52.5724 38.1924 174.0182 71 L 4.6177 8.2392 123.9537 54.4825 42.4474 177.5797 72 Q 4.0354 8.4420 122.1436 58.0809 29.2445 175.6757 73 D 4.5608 8.1239 117.9356 52.7815 41.2686 175.5265 74 L 4.4225 8.2779 127.2094 52.6752 42.6761 176.0537 75 G 3.8272 8.3827 115.8310 44.9581 0.0000 171.1121 76 K 4.0691 8.3167 120.5513 55.8103 32.4275 176.5179 77 L 4.0987 8.4099 126.9816 54.6274 42.1314 177.2256 78 L 4.3789 8.6682 124.7365 53.4595 40.5184 174.8582 79 I 4.3006 7.9934 123.5630 59.5064 38.1461 176.5353 80 G 3.9857 8.7226 114.8634 44.8761 0.0000 172.7572 81 E 4.7069 8.8122 116.1134 55.7859 30.3165 175.5528 82 N 4.8972 7.6257 117.0899 51.0709 41.5067 175.0735 83 T 4.3670 8.5170 111.1256 65.2897 68.8293 176.2083 84 Q 3.9812 8.1885 121.9835 58.8479 29.1497 177.6190 85 E 4.0103 8.6069 120.4925 59.3836 29.7472 178.7051 86 M 3.9468 8.2976 118.9630 58.2379 31.8834 178.7393 87 L 4.1517 8.2633 119.1638 57.9373 41.7644 179.3249 88 Q 4.0089 8.2077 119.5021 59.4195 28.9695 178.0954 89 C 4.2234 8.6493 118.2336 62.9580 28.1095 175.8877 90 D 4.6719 8.1641 120.3707 57.1790 40.3833 178.5786 91 L 3.9998 8.3227 121.2784 58.3091 42.2582 178.6411 92 N 4.3414 8.5273 116.8253 56.3137 38.4394 177.1006 93 L 4.0133 8.1675 121.5381 58.3247 42.2548 178.8770 94 E 4.0879 8.5549 118.5886 59.4361 29.3526 179.3879 95 L 4.0426 8.2253 119.1391 57.5784 41.6792 179.4082 96 K 3.9216 8.0150 118.8836 59.5619 32.1572 178.6929 97 A 4.2107 8.1893 121.0971 55.6042 18.3544 179.7811 98 T 3.9573 8.1322 114.2485 66.2703 68.3437 177.1445 99 K 3.9665 7.8443 121.5045 59.6486 32.2770 178.6965 100 D 4.4022 8.1346 119.2137 57.1564 40.5920 178.7422 101 L 3.9691 7.9675 119.5684 57.9262 41.6346 179.6098 102 R 3.9302 7.8605 117.6794 59.5640 30.1633 179.0578 103 E 3.9572 8.0453 118.0866 59.2468 29.3474 179.2920 104 A 3.6054 8.3839 121.3696 54.9588 18.4188 179.7868 105 I 3.6117 8.0969 118.7678 64.3388 37.1707 178.4471 106 V 3.5749 7.8766 119.3062 66.5941 31.3120 177.5997 107 H 3.9873 8.0104 117.0541 59.3787 29.6968 176.8364 108 C 4.0409 8.2813 118.7532 62.9013 28.0170 175.7779 109 E 3.9079 8.2729 120.7538 59.3561 28.9994 178.7053 110 Q 3.9757 7.8883 118.6869 58.5345 29.1394 177.4382 111 V 3.9191 7.2798 110.7343 60.3574 31.8075 175.4864 112 H 2.9319 7.2278 113.7970 56.8312 26.9025 176.1942 113 D 4.5311 7.4532 120.0024 53.5230 38.5284 175.3082 114 Y 4.3497 7.5676 121.4536 60.1750 38.4523 177.4054 115 V 3.7510 7.8532 119.2308 65.8997 31.8114 178.0926 116 S 4.1948 8.4810 115.1636 61.2140 62.5773 176.4494 117 R 3.8800 7.9817 121.6490 59.5689 29.8538 178.1201 118 D 4.3134 8.1641 117.7247 57.1098 41.2502 177.5824 119 L 3.9393 7.8387 120.8881 58.5452 41.9688 179.1787 120 L 4.0219 7.8842 118.4781 57.5458 41.5281 179.3922 121 K 3.9866 8.5617 120.1473 59.3747 32.0974 178.7288 122 D 4.3341 8.2749 119.4373 57.3448 40.7451 178.6817 123 I 3.4705 7.8023 120.3224 64.1528 37.0199 178.2342 124 L 3.9363 8.2418 121.5426 58.1283 41.9333 178.5057 125 E 3.9332 8.3115 119.3278 59.5071 29.5358 178.8443 126 S 4.1001 7.9920 113.0277 61.3081 62.3540 175.9653 127 E 4.1563 8.6206 121.8818 59.3323 29.0851 179.1060 128 E 3.9921 8.6665 119.2087 59.2993 29.4875 179.0771 129 E 4.0041 8.1961 118.6168 59.8814 29.5333 179.0584 130 H 4.3360 8.2231 115.9658 59.1848 28.7337 177.8985 131 I 3.7636 8.1618 121.6895 64.3280 36.9294 177.9170 132 D 4.3219 8.5498 119.2813 57.4777 41.0896 177.5332 133 Y 4.1108 8.1872 119.9103 60.8479 38.8253 178.2165 134 L 3.7066 8.1785 119.7321 57.8630 41.6845 179.5048 135 E 3.9211 8.4645 118.8121 59.5661 29.3248 179.4116 136 T 3.7885 7.8883 115.7838 66.7424 68.4214 176.6292 137 Q 3.6869 7.7232 119.6957 58.6721 28.7682 178.4445 138 L 3.8534 7.5314 120.0670 57.9581 41.8388 179.7970 139 G 3.6527 8.1905 105.4810 48.0760 0.0000 175.6484 140 L 4.0570 8.0762 121.8145 57.2578 41.5637 179.5650 141 I 3.5411 7.6637 120.3169 64.4385 36.7472 178.4350 142 Q 3.9679 7.5984 117.2882 58.9026 28.6035 178.6475 143 K 4.1589 7.7922 117.9837 58.5588 32.3469 178.9002 144 V 4.1971 8.2041 110.2521 59.8931 33.0826 176.9021 145 G 4.0579 7.7576 106.2122 45.7988 0.0000 174.3621 146 L 3.9692 8.5230 123.0330 58.0825 42.0770 179.4738 147 E 3.9656 8.1014 117.9590 59.5113 29.5566 178.8520 148 N 4.3289 8.1393 116.0593 56.4224 38.4257 176.6164 149 Y 4.0063 8.1307 120.1869 60.6756 39.2037 177.9371 150 L 4.0555 8.2889 120.0583 57.6801 41.6186 178.8660 151 Q 3.9172 8.3108 120.0052 59.6317 28.7454 178.7638 152 S 4.3393 7.8153 112.3997 59.8589 62.9879 174.4342 153 H 4.6396 7.6426 118.9941 55.6631 29.2970 176.0318 154 M 4.0673 7.9198 122.1666 58.1645 32.2742 175.7328 155 H 5.1476 7.6225 113.8463 53.7539 31.0750 174.3379 156 E 4.1415 8.7176 121.7397 56.7562 29.3395 176.7580 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 3 G 8.35 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 4 D 8.54 4.15 0.00 2.86 2.56 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 0.00 5 K 9.61 3.85 0.00 1.84 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.52 7.81 6 K 8.15 3.99 0.00 1.85 1.65 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.47 7.81 7 V 7.68 3.56 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 1.20 0.00 0.00 0.94 0.00 0.00 8 I 7.79 3.69 2.00 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 1.39 0.36 0.90 0.00 0.00 9 Q 8.02 3.95 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 10 H 8.36 4.14 0.00 3.34 3.29 0.00 5.67 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 11 L 8.37 4.03 0.00 1.84 1.73 0.95 0.56 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 12 N 8.71 4.37 0.00 2.79 2.85 0.00 0.00 6.66 7.53 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 13 K 7.96 3.97 0.00 1.92 1.98 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.93 3.68 2.01 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 1.78 0.77 0.92 0.00 0.00 15 L 8.23 4.02 0.00 1.80 1.87 0.92 1.09 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 16 G 8.23 3.63 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 0.00 0.00 0.00 17 N 8.11 4.36 0.00 2.98 2.89 0.00 0.00 6.98 7.03 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 18 E 8.37 3.97 0.00 2.14 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 2.59 2.54 0.00 19 L 8.07 3.95 0.00 1.81 1.68 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.51 3.63 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.89 0.00 0.00 21 A 7.87 3.23 0.99 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 0.00 0.00 22 I 7.83 3.55 1.97 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 1.54 0.72 0.87 0.00 0.00 23 N 7.84 4.37 0.00 2.70 2.83 0.00 0.00 6.77 7.78 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 24 Q 8.01 3.84 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 25 Y 8.06 4.73 0.00 3.05 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 26 F 8.59 3.91 0.00 3.31 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 27 L 8.30 3.98 0.00 1.83 1.69 0.88 0.88 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 28 H 8.40 3.88 0.00 3.50 2.90 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.45 4.35 0.00 4.01 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 30 R 7.78 3.88 0.00 2.01 1.88 0.00 2.92 0.00 0.00 2.53 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 31 M 7.77 3.48 0.00 0.87 1.70 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.09 0.00 32 W 7.90 4.51 0.00 3.62 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 33 N 8.62 4.36 0.00 2.83 2.84 0.00 0.00 6.61 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 34 D 8.09 4.35 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.86 4.83 0.00 3.78 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.28 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 37 L 8.22 4.65 0.00 2.09 1.64 1.25 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.37 4.03 0.00 1.96 1.86 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 39 R 7.80 3.89 0.00 1.81 1.93 0.00 3.22 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 40 L 7.75 3.81 0.00 1.33 0.24 0.47 0.15 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 41 G 8.34 3.82 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 0.00 0.00 0.00 42 A 8.43 4.09 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 43 H 8.35 3.99 0.00 3.34 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.56 4.01 0.00 2.49 2.40 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 2.79 2.69 0.00 45 Y 8.10 4.05 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 46 H 8.16 4.09 0.00 3.34 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.00 3.90 0.00 2.00 1.76 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 2.31 2.16 0.00 48 S 8.09 4.26 0.00 4.19 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 49 I 7.48 3.56 1.82 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.22 0.84 0.00 0.00 50 D 7.94 4.34 0.00 2.89 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 51 E 8.15 4.02 0.00 2.10 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 2.75 2.53 0.00 52 M 8.30 4.06 0.00 2.02 2.21 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 2.79 2.55 0.00 53 K 8.08 4.02 0.00 1.96 1.87 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.58 7.81 54 H 8.39 4.24 0.00 3.45 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.13 3.98 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 56 D 8.10 4.28 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.99 3.98 0.00 2.02 1.85 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 58 L 8.17 4.02 0.00 1.86 1.73 1.00 0.76 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 59 I 8.20 3.75 2.01 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 1.52 0.89 0.92 0.00 0.00 60 E 8.42 3.98 0.00 2.01 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 2.67 0.00 61 R 8.15 4.01 0.00 2.05 2.12 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 7.91 3.72 2.02 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 1.54 0.65 0.92 0.00 0.00 63 L 7.88 3.98 0.00 1.90 1.78 0.93 1.09 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 64 F 8.25 4.29 0.00 2.94 3.36 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 65 L 7.60 4.01 0.00 1.76 1.60 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.20 3.67 0.00 1.97 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 2.14 2.24 0.00 67 G 8.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.57 0.00 1.61 1.60 0.91 0.99 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 69 P 0.00 4.34 0.00 2.04 1.99 0.00 3.66 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 2.03 2.08 0.00 70 N 9.34 4.65 0.00 2.61 2.74 0.00 0.00 7.09 7.70 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 71 L 8.24 4.62 0.00 1.61 1.62 0.91 0.95 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 72 Q 8.44 4.04 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.12 4.56 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 4.42 0.00 1.52 1.54 0.88 1.06 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 75 G 8.38 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 76 K 8.32 4.07 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.41 4.10 0.00 1.63 1.56 0.87 0.99 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 78 L 8.67 4.38 0.00 1.78 1.68 1.02 0.72 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 79 I 7.99 4.30 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.91 0.00 0.00 80 G 8.72 3.99 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 0.00 0.00 0.00 81 E 8.81 4.71 0.00 2.16 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 2.34 2.24 0.00 82 N 7.63 4.90 0.00 2.87 2.84 0.00 0.00 5.95 7.22 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 83 T 8.52 4.37 5.26 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 1.65 0.00 0.00 84 Q 8.19 3.98 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 85 E 8.61 4.01 0.00 2.29 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 2.33 2.37 0.00 86 M 8.30 3.95 0.00 1.37 2.08 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.01 0.00 87 L 8.26 4.15 0.00 1.90 1.73 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.21 4.01 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.65 4.22 0.00 3.28 3.20 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 90 D 8.16 4.67 0.00 3.13 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 91 L 8.32 4.00 0.00 1.87 1.88 0.96 0.53 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 92 N 8.53 4.34 0.00 2.95 2.90 0.00 0.00 6.72 6.48 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 93 L 8.17 4.01 0.00 2.01 1.98 0.93 0.81 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 E 8.55 4.09 0.00 2.28 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 2.76 2.64 0.00 95 L 8.23 4.04 0.00 1.88 1.75 0.95 0.43 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 96 K 8.01 3.92 0.00 1.91 1.98 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 97 A 8.19 4.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.13 3.96 4.55 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 1.30 0.00 0.00 99 K 7.84 3.97 0.00 2.00 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 D 8.13 4.40 0.00 2.91 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 0.00 101 L 7.97 3.97 0.00 2.03 1.72 0.92 1.04 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 0.00 102 R 7.86 3.93 0.00 2.07 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 103 E 8.05 3.96 0.00 2.14 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 2.35 2.57 0.00 104 A 8.38 3.61 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 0.00 105 I 8.10 3.61 2.01 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 1.41 0.96 0.93 0.00 0.00 106 V 7.88 3.57 2.25 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 0.98 0.00 0.00 1.00 0.00 0.00 107 H 8.01 3.99 0.00 3.38 3.29 0.00 5.85 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 0.00 108 C 8.28 4.04 0.00 3.14 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 0.00 109 E 8.27 3.91 0.00 2.13 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 0.00 2.37 2.44 0.00 110 Q 7.89 3.98 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 111 V 7.28 3.92 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 0.82 0.00 0.00 0.96 0.00 0.00 112 H 7.23 2.93 0.00 3.15 3.07 0.00 5.64 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.45 4.53 0.00 2.64 2.48 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 0.00 114 Y 7.57 4.35 0.00 3.09 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 0.00 115 V 7.85 3.75 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.48 4.19 0.00 4.13 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 0.00 117 R 7.98 3.88 0.00 1.95 2.24 0.00 3.18 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 118 D 8.16 4.31 0.00 3.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.84 3.94 0.00 1.94 1.86 0.94 0.68 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 0.00 120 L 7.88 4.02 0.00 1.93 1.69 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.56 3.99 0.00 1.89 1.99 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.27 4.33 0.00 2.93 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 0.00 123 I 7.80 3.47 1.94 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 1.11 0.62 0.75 0.00 0.00 124 L 8.24 3.94 0.00 1.84 1.89 0.94 0.76 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 0.00 125 E 8.31 3.93 0.00 2.08 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 2.31 2.33 0.00 126 S 7.99 4.10 0.00 3.98 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 0.00 127 E 8.62 4.16 0.00 2.01 2.20 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 2.57 2.53 0.00 128 E 8.67 3.99 0.00 1.99 2.02 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 2.35 2.56 0.00 129 E 8.20 4.00 0.00 2.20 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 2.36 2.38 0.00 130 H 8.22 4.34 0.00 3.57 3.41 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 0.00 131 I 8.16 3.76 2.08 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 1.47 0.92 0.95 0.00 0.00 132 D 8.55 4.32 0.00 2.92 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 0.00 133 Y 8.19 4.11 0.00 3.15 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 0.00 134 L 8.18 3.71 0.00 2.09 1.68 1.04 1.09 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 0.00 135 E 8.46 3.92 0.00 2.05 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 2.41 0.00 136 T 7.89 3.79 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 1.18 0.00 0.00 137 Q 7.72 3.69 0.00 1.66 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 1.40 1.76 0.00 138 L 7.53 3.85 0.00 1.84 1.64 0.82 0.94 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 0.00 139 G 8.19 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 0.00 140 L 8.08 4.06 0.00 1.72 1.83 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.66 3.54 1.80 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.36 0.82 0.00 0.00 142 Q 7.60 3.97 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 143 K 7.79 4.16 0.00 1.76 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 144 V 8.20 4.20 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 0.78 0.00 0.00 1.08 0.00 0.00 145 G 7.76 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 0.00 146 L 8.52 3.97 0.00 1.76 1.68 0.96 0.96 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 0.00 147 E 8.10 3.97 0.00 2.06 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 2.39 2.40 0.00 148 N 8.14 4.33 0.00 3.04 2.89 0.00 0.00 6.73 7.48 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 0.00 149 Y 8.13 4.01 0.00 2.97 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 0.00 150 L 8.29 4.06 0.00 1.88 1.72 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.31 3.92 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 152 S 7.82 4.34 0.00 3.80 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 0.00 153 H 7.64 4.64 0.00 2.88 3.03 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.92 4.07 0.00 1.75 2.01 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.33 0.00 155 H 7.62 5.15 0.00 3.12 3.14 0.00 5.77 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 0.00 156 E 8.72 4.14 0.00 1.95 1.86 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 2.31 2.30 0.00