NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 M 4.4832 8.3044 118.1952 54.7243 32.3358 176.1114 22 T 4.4217 8.5786 106.8511 59.1239 71.4403 170.5917 23 I 4.1109 9.0181 130.0761 60.9301 38.9531 174.5767 24 H 4.9406 8.7133 121.7558 53.8128 31.4162 173.2537 25 K 4.8671 8.5848 122.5983 54.6750 35.2402 175.5797 26 K 4.7629 9.9908 122.6969 54.6477 35.4798 175.3573 27 G 4.2765 8.5017 107.9157 44.7458 0.0000 171.3531 28 Q 4.9109 8.9573 121.2706 54.5763 33.2482 173.3598 29 A 5.3026 8.3178 122.1776 51.3390 22.4833 175.0725 30 H 5.0837 9.8540 119.0038 54.2702 33.6550 172.0965 31 W 5.2373 8.6237 133.8034 55.6363 33.9025 173.7436 32 E 4.4311 7.9182 125.7258 55.7021 32.3367 177.1540 33 G 3.9711 8.8381 113.1117 44.7557 0.0000 172.4112 34 D 4.5788 8.4859 118.0800 54.4167 41.5822 178.0207 35 I 3.9309 7.9155 123.9827 64.5157 37.3942 178.0392 36 K 3.7970 7.8203 121.3531 58.6892 32.4950 177.9593 37 R 4.1583 8.1568 117.7721 57.8451 30.6534 176.7402 38 G 3.5766 8.2627 105.9578 45.3205 0.0000 172.3258 39 K 4.1142 7.4638 118.3586 54.0723 35.6041 175.7039 40 G 4.0831 7.7576 108.3421 44.6867 0.0000 171.4350 41 T 5.5355 9.2710 109.7847 60.0119 72.4594 173.1867 42 V 5.0198 9.0003 117.3793 59.8827 34.7036 175.0194 43 S 5.1685 9.4995 119.7839 57.1469 67.5819 172.8382 44 T 5.0403 8.6169 116.5482 61.8156 71.9551 175.2921 45 E 4.3204 8.5347 121.2535 58.7617 29.8777 178.2823 46 S 4.2177 8.1757 114.1785 59.3128 64.0338 173.6516 47 G 4.2259 8.4863 109.1514 46.5660 0.0000 176.5969 48 V 3.3997 6.8235 117.7615 64.6731 32.1498 175.6187 49 L 4.6132 8.0631 119.9484 52.7784 43.0823 175.3240 50 N 4.6564 8.1764 124.5307 54.6251 39.7567 174.7629 51 Q 4.8362 7.5499 119.3542 54.5351 29.5521 175.5569 52 Q 4.2354 8.2521 118.6595 55.9367 30.1904 176.1002 53 P 5.2322 0.0000 0.0000 62.9761 32.9491 174.6605 54 Y 4.9549 8.5945 118.8876 56.2426 42.3526 173.3763 55 G 4.4364 8.6457 105.8402 44.6644 0.0000 174.2771 56 F 4.5737 9.1514 121.0513 60.4250 39.2927 176.1598 57 N 4.6371 8.3658 116.4082 55.6794 37.5683 176.4565 58 T 4.8262 7.8342 110.5707 61.6881 69.5886 176.0124 59 R 4.0013 7.7744 121.1483 58.0343 30.8207 176.6818 60 F 4.4888 7.4542 113.2525 57.1764 40.5788 175.7350 61 E 4.6599 7.7921 121.0093 56.9518 29.9030 176.4012 62 G 4.0007 8.4195 103.1150 46.2543 0.0000 173.6586 63 E 4.1468 7.8787 119.3079 55.2282 30.1307 176.3929 64 K 4.1661 8.7404 124.4296 55.2816 32.6308 176.4472 65 G 4.2769 8.3862 115.4085 44.3086 0.0000 171.3375 66 T 4.8094 8.1560 110.5490 61.1463 69.0542 173.1231 67 N 4.3024 7.8302 116.9490 50.7319 40.3399 173.5480 68 P 4.1453 0.0000 0.0000 65.5954 31.3809 178.6475 69 E 3.8640 8.0132 116.8982 59.6202 29.4552 178.9369 70 E 3.9646 8.0618 118.4952 59.3073 29.6743 178.6959 71 L 3.9962 7.5625 117.9032 57.7524 41.5618 179.5618 72 I 3.8267 7.8984 120.0446 64.2320 37.0573 178.6764 73 G 3.6035 8.5183 106.8845 47.6083 0.0000 175.6635 74 A 3.9812 8.3269 123.1973 54.9039 18.3993 179.4821 75 A 3.9334 8.0823 119.3565 55.6196 18.3677 179.3734 76 H 4.1780 8.6153 116.7424 59.4307 30.0120 177.2868 77 A 4.0392 8.1775 122.3747 55.1203 18.2666 179.5217 78 A 3.9584 8.3008 119.4016 55.4568 18.4223 179.4746 79 C 4.0814 8.5022 117.6669 62.5919 31.6275 175.5552 80 F 4.1962 8.6365 122.5620 61.3906 38.9899 177.3001 81 S 3.7783 8.2323 114.8330 61.5628 62.6082 176.3228 82 M 3.9205 7.9286 120.4556 58.5708 31.9356 177.9981 83 A 3.9126 8.0873 121.1361 55.1662 18.5366 179.3458 84 L 3.5963 7.8029 119.1250 58.0581 42.0305 179.1393 85 S 4.0010 7.9218 113.1405 61.1359 62.2870 175.6521 86 L 3.8780 7.8773 122.9638 58.7894 41.8277 179.1040 87 M 4.0616 8.1941 118.2182 58.0840 31.7661 178.7515 88 L 4.2663 8.0072 119.5650 57.2134 41.7214 179.7031 89 G 3.5404 7.9991 105.9899 47.2654 0.0000 175.6388 90 E 4.1112 8.1935 119.5947 57.7216 29.5277 178.1570 91 A 4.5106 7.4452 118.8924 51.4939 19.9252 177.3091 92 G 3.5649 8.7034 105.6995 45.6310 0.0000 173.2912 93 F 5.0957 8.6786 116.5926 55.6981 42.8551 174.9053 94 T 4.6510 8.3744 118.0116 60.9142 70.2588 172.1799 95 P 4.4400 0.0000 0.0000 63.5627 31.5562 176.6767 96 T 4.3107 8.7291 112.2561 63.6717 69.9914 174.9741 97 S 4.6680 7.6533 115.3516 57.1713 66.0808 173.3325 98 I 4.9054 8.3320 126.4795 59.9628 40.7329 174.3725 99 D 4.9975 9.3233 127.9926 52.7701 43.2883 175.1420 100 T 5.3139 8.6148 113.2593 60.2124 71.8442 173.5272 101 T 4.8154 9.4443 119.7650 61.7235 72.7329 172.8345 102 A 4.9575 8.5282 125.5640 50.2682 21.5482 174.9514 103 D 4.6151 8.9647 123.6634 53.3425 42.7036 175.3208 104 V 4.6038 8.2947 126.6857 61.6451 32.9794 174.9785 105 S 4.5527 9.3844 125.6318 57.4683 64.3939 172.9980 106 L 4.6877 8.6308 127.4707 53.6851 43.1305 174.6548 107 D 5.1066 8.7403 127.1850 52.3115 43.4173 176.6474 108 K 3.5824 8.7393 122.4272 56.2276 32.6325 175.6082 109 V 4.2484 8.2604 126.6451 62.2175 34.5676 175.0771 110 D 4.5770 8.3954 128.4098 55.8867 38.3624 174.5798 111 A 4.6607 8.5494 127.8258 52.2470 19.8170 178.1105 112 G 3.9866 6.4705 106.4004 47.8315 0.0000 173.1260 113 F 5.7364 9.2633 118.0916 55.1619 42.3417 174.4114 114 A 4.7101 8.1394 122.7011 50.6933 22.6872 175.7534 115 I 4.1194 8.5865 123.1435 61.9365 36.6647 175.6747 116 T 4.3942 8.6415 118.3782 62.5517 70.5666 174.5247 117 K 5.0902 7.7214 121.8006 55.2790 36.4809 174.7989 118 I 4.9161 8.7250 124.7106 59.8289 41.3176 174.2351 119 A 4.7982 8.9571 130.7481 49.7155 20.3922 175.6030 120 L 4.6572 8.6213 123.4425 54.3407 43.4229 176.1980 121 K 5.1354 9.1669 125.2234 54.6645 35.4646 174.7433 122 S 5.2412 9.4833 121.5660 56.9149 66.5898 172.2452 123 E 5.0787 9.5620 126.9787 54.9666 31.2782 174.9081 124 V 4.9027 8.8678 125.1791 60.8363 34.7997 174.2561 125 A 4.8807 9.0000 128.9235 50.1570 21.4063 175.1724 126 V 4.1972 7.5490 121.4463 63.6347 33.9292 173.3672 127 P 3.2916 0.0000 0.0000 63.4637 32.2454 177.2411 128 G 4.1224 8.5809 109.4656 44.1368 0.0000 171.7622 129 I 4.0977 7.0000 120.2003 59.1055 40.1150 176.0880 130 D 4.4801 8.3379 123.4398 52.8575 40.3068 177.1552 131 A 4.0817 8.6368 122.8644 55.7436 18.2638 179.7134 132 S 4.1065 8.1441 111.7092 61.5562 62.6673 176.0021 133 T 3.8897 8.6327 112.1618 65.0181 68.4070 175.9384 134 F 3.9393 8.1505 123.0615 60.8780 39.4643 176.3778 135 D 4.3983 8.4079 117.8172 57.5604 40.9509 178.6738 136 G 3.6597 8.0296 105.9037 47.5382 0.0000 175.8856 137 I 3.6193 7.3292 122.0497 64.1446 37.2536 178.2326 138 I 3.4136 6.9325 113.9551 64.1211 37.1564 177.9183 139 Q 3.9847 7.7047 119.3326 58.6134 28.5952 179.1232 140 K 3.8604 7.6977 118.6544 59.5554 32.1081 179.2397 141 A 3.9797 8.0624 120.7677 54.8921 18.0679 179.1891 142 K 3.8574 8.6968 117.2211 60.1185 32.3109 178.3961 143 A 4.3173 7.9629 118.8280 54.1694 18.6070 179.0190 144 G 3.7873 8.0599 103.3376 45.4741 0.0000 174.4311 145 C 4.2493 7.8523 116.2645 57.7384 30.4708 172.7034 146 P 4.2233 0.0000 0.0000 66.1293 30.8505 179.0424 147 V 3.5596 7.7722 116.0666 66.1360 31.2831 177.9809 148 S 4.0257 7.9964 113.2162 61.8153 62.8104 176.3689 149 Q 4.1113 7.9957 119.5860 58.6562 28.4611 178.4532 150 V 3.8534 7.6400 118.5104 63.8326 31.8122 176.1483 151 L 4.2334 7.1858 119.2474 54.1213 41.9401 176.4419 152 K 4.3180 8.6332 122.1673 56.8578 32.7957 176.3017 153 A 4.5365 7.5266 120.9471 51.0346 20.6594 177.2802 154 E 4.1300 8.8407 120.7218 56.3344 30.9859 175.7629 155 I 5.1775 8.2959 126.5961 59.8721 40.2298 174.8606 156 T 4.6475 8.4939 117.1842 59.8490 71.8098 173.0972 157 L 5.1030 8.3208 123.7008 53.4563 45.0190 175.2743 158 D 4.9970 9.1175 125.0459 52.8408 44.7910 174.1178 159 Y 6.0416 8.1120 119.8118 55.8498 41.6016 174.0082 160 Q 4.6409 8.9141 118.0950 54.0203 32.7778 173.9400 161 L 4.9190 8.6627 125.3287 53.1576 44.3427 175.4424 162 K 4.2695 9.0111 126.5499 56.5476 33.9774 177.4329 163 S 3.9462 8.6423 119.2218 59.1425 63.0620 172.0085 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 21 M 8.30 4.48 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 22 T 8.58 4.42 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 1.25 0.00 0.00 23 I 9.02 4.11 1.84 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 1.41 0.65 0.90 0.00 0.00 24 H 8.71 4.94 0.00 3.10 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.58 4.87 0.00 1.67 1.66 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.61 7.81 26 K 9.99 4.76 0.00 1.65 1.69 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81 27 G 8.50 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 0.00 0.00 0.00 0.00 28 Q 8.96 4.91 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 29 A 8.32 5.30 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 30 H 9.85 5.08 0.00 3.23 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.62 5.24 0.00 3.46 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 32 E 7.92 4.43 0.00 1.69 1.68 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 2.19 2.09 0.00 33 G 8.84 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.49 4.58 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.92 3.93 1.69 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 1.14 0.85 0.90 0.00 0.00 36 K 7.82 3.80 0.00 1.33 1.67 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.10 1.06 7.81 37 R 8.16 4.16 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 38 G 8.26 3.58 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 0.00 39 K 7.46 4.11 0.00 1.28 1.38 0.00 1.47 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.10 1.32 7.81 40 G 7.76 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 9.27 5.54 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 1.23 0.00 0.00 42 V 9.00 5.02 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 0.37 0.00 0.00 0.96 0.00 0.00 43 S 9.50 5.17 0.00 3.71 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 44 T 8.62 5.04 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 1.29 0.00 0.00 45 E 8.53 4.32 0.00 2.02 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 0.00 2.31 2.26 0.00 46 S 8.18 4.22 0.00 4.00 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 47 G 8.49 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 0.00 0.00 0.00 0.00 48 V 6.82 3.40 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 0.79 0.00 0.00 0.93 0.00 0.00 49 L 8.06 4.61 0.00 1.80 1.54 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.18 4.66 0.00 2.69 2.67 0.00 0.00 7.01 7.08 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 51 Q 7.55 4.84 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 52 Q 8.25 4.24 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.08 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 53 P 0.00 5.23 0.00 2.07 2.04 0.00 3.78 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 2.01 1.97 0.00 54 Y 8.59 4.95 0.00 3.18 3.03 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 55 G 8.65 4.44 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 0.00 56 F 9.15 4.57 0.00 3.44 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 57 N 8.37 4.64 0.00 3.27 3.18 0.00 0.00 5.97 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 58 T 7.83 4.83 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 1.34 0.00 0.00 59 R 7.77 4.00 0.00 1.76 2.01 0.00 3.02 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 60 F 7.45 4.49 0.00 2.01 2.41 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 61 E 7.79 4.66 0.00 2.28 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 2.35 2.53 0.00 62 G 8.42 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 63 E 7.88 4.15 0.00 2.22 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 2.35 2.45 0.00 64 K 8.74 4.17 0.00 1.72 1.73 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 65 G 8.39 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 0.00 0.00 0.00 0.00 66 T 8.16 4.81 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 67 N 7.83 4.30 0.00 2.73 2.83 0.00 0.00 5.94 7.76 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 68 P 0.00 4.15 0.00 2.06 2.03 0.00 3.46 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 69 E 8.01 3.86 0.00 1.94 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 2.28 2.36 0.00 70 E 8.06 3.96 0.00 1.99 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 0.00 2.34 2.38 0.00 71 L 7.56 4.00 0.00 1.92 1.65 0.88 0.70 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 72 I 7.90 3.83 2.01 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 1.43 0.76 0.90 0.00 0.00 73 G 8.52 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 74 A 8.33 3.98 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 75 A 8.08 3.93 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 76 H 8.62 4.18 0.00 3.28 3.29 0.00 5.62 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 77 A 8.18 4.04 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.30 3.96 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 79 C 8.50 4.08 0.00 3.03 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 80 F 8.64 4.20 0.00 3.11 3.18 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 0.00 0.00 0.00 81 S 8.23 3.78 0.00 3.90 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 82 M 7.93 3.92 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 83 A 8.09 3.91 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 84 L 7.80 3.60 0.00 1.01 1.43 0.59 0.52 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 85 S 7.92 4.00 0.00 3.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.88 3.88 0.00 1.80 1.87 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 M 8.19 4.06 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.80 0.00 88 L 8.01 4.27 0.00 1.96 1.97 1.00 1.08 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 89 G 8.00 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.19 4.11 0.00 1.93 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 2.32 2.52 0.00 91 A 7.45 4.51 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.70 3.56 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 0.00 0.00 0.00 93 F 8.68 5.10 0.00 3.18 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.37 4.65 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 1.23 0.00 0.00 95 P 0.00 4.44 0.00 2.18 2.11 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 96 T 8.73 4.31 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 97 S 7.65 4.67 0.00 3.88 3.68 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 98 I 8.33 4.91 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 0.90 0.00 0.00 99 D 9.32 5.00 0.00 2.59 2.60 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 0.00 100 T 8.61 5.31 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 101 T 9.44 4.82 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 1.21 0.00 0.00 102 A 8.53 4.96 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 0.00 103 D 8.96 4.62 0.00 2.75 2.54 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 0.00 0.00 0.00 0.00 104 V 8.29 4.60 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 0.83 0.00 0.00 0.99 0.00 0.00 105 S 9.38 4.55 0.00 3.97 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.63 4.69 0.00 1.57 1.55 0.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.74 5.11 0.00 2.73 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 0.00 108 K 8.74 3.58 0.00 1.19 1.45 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.30 7.81 109 V 8.26 4.25 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 0.97 0.00 0.00 0.91 0.00 0.00 110 D 8.40 4.58 0.00 2.85 1.77 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 0.00 111 A 8.55 4.66 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 0.00 112 G 6.47 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 0.00 113 F 9.26 5.74 0.00 3.20 3.12 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 0.00 114 A 8.14 4.71 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 0.00 115 I 8.59 4.12 1.88 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 1.38 0.44 0.91 0.00 0.00 116 T 8.64 4.39 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 1.27 0.00 0.00 117 K 7.72 5.09 0.00 1.81 1.62 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.62 7.81 118 I 8.73 4.92 1.89 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 1.17 1.10 0.94 0.00 0.00 119 A 8.96 4.80 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 0.00 120 L 8.62 4.66 0.00 1.52 1.22 0.10 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.17 5.14 0.00 1.75 1.62 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 122 S 9.48 5.24 0.00 4.12 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 9.56 5.08 0.00 1.93 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 2.49 2.27 0.00 124 V 8.87 4.90 2.13 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 1.18 0.00 0.00 1.11 0.00 0.00 125 A 9.00 4.88 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 0.00 126 V 7.55 4.20 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 0.76 0.00 0.00 0.94 0.00 0.00 127 P 0.00 3.29 0.00 2.15 1.81 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 128 G 8.58 4.12 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 0.00 129 I 7.00 4.10 1.53 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.36 0.69 0.00 0.00 130 D 8.34 4.48 0.00 2.84 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 0.00 131 A 8.64 4.08 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 0.00 132 S 8.14 4.11 0.00 3.94 4.09 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 0.00 133 T 8.63 3.89 4.34 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 1.44 0.00 0.00 134 F 8.15 3.94 0.00 3.03 3.12 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 0.00 135 D 8.41 4.40 0.00 3.23 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.03 3.66 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 0.00 137 I 7.33 3.62 1.60 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 1.75 0.96 0.73 0.00 0.00 138 I 6.93 3.41 1.65 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.26 0.71 0.00 0.00 139 Q 7.70 3.98 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 140 K 7.70 3.86 0.00 1.91 1.83 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.58 7.81 141 A 8.06 3.98 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 0.00 142 K 8.70 3.86 0.00 1.97 2.08 0.00 1.79 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.12 1.51 7.81 143 A 7.96 4.32 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 0.00 144 G 8.06 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 C 7.85 4.25 0.00 3.18 3.18 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 0.00 0.00 0.00 146 P 0.00 4.22 0.00 2.18 2.17 0.00 3.62 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 2.12 2.17 0.00 147 V 7.77 3.56 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 0.98 0.00 0.00 0.95 0.00 0.00 148 S 8.00 4.03 0.00 4.07 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 0.00 149 Q 8.00 4.11 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.01 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 150 V 7.64 3.85 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 0.82 0.00 0.00 0.94 0.00 0.00 151 L 7.19 4.23 0.00 1.60 1.55 0.79 1.27 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 0.00 152 K 8.63 4.32 0.00 1.85 1.88 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.42 7.81 153 A 7.53 4.54 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 0.00 154 E 8.84 4.13 0.00 2.07 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 2.29 2.29 0.00 155 I 8.30 5.18 1.86 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 0.99 0.93 0.00 0.00 156 T 8.49 4.65 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 1.20 0.00 0.00 157 L 8.32 5.10 0.00 1.61 1.60 1.18 1.26 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 0.00 158 D 9.12 5.00 0.00 2.80 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 8.11 6.04 0.00 3.19 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 0.00 160 Q 8.91 4.64 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 161 L 8.66 4.92 0.00 1.48 1.46 0.68 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 162 K 9.01 4.27 0.00 1.66 1.65 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.38 7.81 163 S 8.64 3.95 0.00 3.87 3.72 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