NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5015 8.3044 120.3300 55.1012 34.2273 174.6217 2 S 4.5190 7.6284 111.0914 54.2362 65.3581 171.9770 3 N 4.7573 9.7374 122.6728 52.9650 38.2410 176.3554 4 I 3.6830 7.3623 124.3875 65.2657 37.2691 177.8997 5 N 4.3768 8.0555 116.4452 56.0005 38.4345 177.1987 6 L 3.8343 7.7701 121.5220 57.8864 42.2195 178.9164 7 V 3.5491 8.0388 118.6204 66.1393 31.3984 177.8527 8 Q 3.9477 8.1045 119.2725 58.8681 28.8265 177.9083 9 L 3.8501 7.9195 121.5100 58.1033 42.1159 179.1824 10 V 3.6900 7.7851 118.1417 65.9477 31.3360 178.1006 11 R 3.9114 8.1893 117.8944 59.5559 29.5338 178.6650 12 D 4.6116 8.4890 118.8448 57.7652 40.7604 179.2176 13 S 4.4502 8.3927 115.5532 61.6855 62.8402 176.7912 14 L 4.1199 8.1034 121.6435 57.5252 41.0362 179.5217 15 F 4.0097 7.8667 117.5803 60.7989 38.8877 177.4761 16 T 4.1110 7.5759 113.4382 66.6619 68.3219 176.6844 17 I 3.9441 7.6296 121.1661 62.8255 37.1700 177.1559 18 G 4.0775 8.0083 106.5226 45.4308 0.0000 173.0236 19 C 4.5373 7.5194 116.3903 57.2224 29.8731 171.6751 20 P 4.3726 0.0000 0.0000 61.7450 31.7209 174.9278 21 P 4.6084 0.0000 0.0000 63.1285 31.1322 178.4464 22 S 4.2472 7.4848 113.5903 60.2886 63.4076 175.2084 23 I 3.9870 7.5864 113.5119 61.6559 38.1206 174.7735 24 I 4.8511 7.1207 122.5819 60.5812 38.0549 175.2411 25 T 4.9118 8.8951 116.3903 60.5332 72.7295 172.0713 26 D 4.8338 8.2610 119.9723 52.8351 41.8347 175.5769 27 L 4.2082 8.6164 120.0302 57.2611 41.8106 176.5713 28 D 4.5593 7.3175 115.3329 52.8772 41.3667 175.4346 29 S 4.6217 8.5151 112.0340 59.6325 63.0366 174.3809 30 H 4.8669 8.5732 116.6827 55.4675 29.9100 173.4586 31 S 4.6281 7.5997 114.1217 56.4308 64.7013 173.5389 32 A 4.4540 8.3063 122.0527 52.1916 19.0585 176.8990 33 I 4.5540 8.6882 120.6721 60.1733 39.7800 175.1275 34 T 4.8111 8.8537 122.0372 61.7607 72.1915 173.0791 35 I 4.7240 8.5477 127.1854 59.4917 39.2613 175.1638 36 S 4.6173 8.5563 124.4973 58.2131 63.2924 174.3428 37 L 4.8268 8.2594 123.1318 52.6680 44.8130 175.9483 38 D 4.4027 8.5676 121.9643 55.3929 41.2703 177.0680 39 S 4.1620 9.1236 118.4003 59.3163 60.4085 170.8111 40 M 4.7982 7.3447 117.9497 52.9456 35.9367 173.2645 41 P 4.1547 0.0000 0.0000 62.3566 32.0307 176.3956 42 A 4.3177 7.9651 121.9351 52.0353 19.5420 176.9514 43 I 4.1276 8.2436 121.0246 60.4410 38.8610 174.7695 44 N 4.9297 8.4707 124.8511 51.3187 41.0493 174.0696 45 I 5.1371 8.2317 122.6380 59.6889 41.3077 174.2853 46 A 4.9266 9.1809 126.9800 50.8354 23.3935 175.0647 47 L 4.8042 8.5255 119.7589 53.9391 42.5425 177.3315 48 V 4.1495 8.8780 119.0995 60.1641 33.2302 175.9666 49 N 4.2161 9.2196 124.5401 54.6554 35.4444 174.5131 50 E 3.8282 8.4599 112.8258 56.8063 28.9209 173.0578 51 Q 4.6517 7.5396 115.3001 53.5012 31.9584 174.6499 52 V 4.4073 8.3466 122.0904 62.8484 32.9962 174.0886 53 M 5.2883 9.3855 128.3008 53.7719 35.0643 174.1099 54 L 5.4579 8.9617 125.7723 52.7776 44.9180 175.4711 55 W 5.9541 8.6634 118.7125 55.4167 32.2051 173.3671 56 A 4.8897 9.5464 122.7883 50.4812 22.1769 174.7468 57 N 4.8784 8.5455 120.0955 51.8782 39.6799 174.5303 58 F 4.6731 8.9985 123.5072 55.5956 41.4244 175.5543 59 D 5.0368 8.9867 122.0115 54.6833 41.3127 176.2783 60 A 4.3186 8.8293 126.3508 51.4388 18.7329 175.8741 61 P 4.4960 0.0000 0.0000 61.8740 32.7321 176.8215 62 S 4.3959 8.2781 114.4790 58.1405 65.0985 174.9066 63 D 4.3651 8.5669 122.1911 57.8442 40.5770 179.6372 64 V 3.6845 7.7319 112.3092 64.0714 31.5655 178.4264 65 K 3.9551 7.9653 119.2411 59.3266 32.1758 178.6696 66 L 3.9640 7.9766 120.7736 58.0321 41.7321 178.7783 67 Q 3.9794 7.8846 119.0698 59.1966 29.1610 178.1576 68 S 4.3368 7.9987 113.5632 60.2859 63.4533 175.4225 69 S 4.6728 7.6080 116.5756 57.9063 63.2220 175.3693 70 A 3.9808 7.8777 125.5487 55.4682 18.1393 179.3823 71 Y 4.0896 8.0373 117.3014 61.0847 38.9502 177.9886 72 N 4.1405 8.1514 116.7994 56.3215 38.6440 177.4006 73 I 3.6396 7.8673 121.2931 64.0304 37.1966 178.2438 74 L 3.8738 8.2147 121.6544 58.2818 41.7345 178.7729 75 N 4.2021 7.6894 115.1381 56.0041 38.7631 176.8824 76 L 4.0175 7.6990 121.6568 58.5511 42.0408 179.1008 77 M 4.1268 7.9385 117.0171 57.7946 31.9373 177.9049 78 L 4.3303 7.6692 117.0084 54.6103 42.3095 176.8917 79 M 4.2371 7.2360 120.0969 54.7906 32.4092 176.2417 80 N 4.6453 8.6469 121.3170 53.3184 39.4433 174.7100 81 F 4.6532 9.0607 123.2504 56.2852 40.8646 175.7135 82 S 3.9905 8.2204 125.1839 61.2358 62.8706 175.3415 83 Y 4.3373 7.2123 116.1045 58.4901 38.5994 175.3641 84 S 5.0780 8.1628 115.8925 57.5608 63.1611 174.9728 85 I 3.9560 8.5848 119.8437 63.0084 37.4464 176.5336 86 N 4.8466 7.8465 116.0907 52.0640 37.6059 174.5076 87 E 4.0885 8.5067 117.5900 56.8906 28.8844 173.2159 88 L 5.1784 8.0167 115.2019 53.2412 45.8448 175.4468 89 V 4.2722 8.1555 119.5176 61.7082 33.0015 174.8101 90 E 4.7478 9.4236 126.5890 54.8551 32.2566 174.7319 91 L 5.2566 8.3365 121.5868 53.3763 44.3935 175.5507 92 H 4.9632 9.4904 121.2070 53.8512 32.1143 172.6743 93 R 5.1944 8.7405 122.8844 54.6272 32.0973 174.7921 94 S 4.8836 8.7948 119.8937 56.0526 66.3113 173.5899 95 D 4.4813 8.7679 119.3335 57.3487 40.7720 177.6848 96 E 4.2621 8.0090 117.2794 57.5404 31.2866 176.0232 97 Y 5.6297 7.9837 114.9855 56.0625 42.8187 174.7929 98 L 4.9926 9.3667 124.2514 53.7635 44.1871 174.6526 99 Q 5.2460 9.4339 129.0509 54.4583 31.3295 173.8012 100 L 5.0840 9.0499 128.9743 54.0940 43.9210 175.1584 101 R 5.5210 9.4233 126.3494 54.9564 34.1367 173.9229 102 V 4.7935 9.0393 124.2237 60.1574 35.4974 173.7069 103 V 4.8279 8.4514 122.6106 61.3525 33.8029 174.1902 104 I 4.9567 8.7879 129.6188 60.0175 38.4698 176.3425 105 K 4.2014 9.1560 125.9791 56.2761 32.6226 177.9077 106 D 4.4305 8.7416 121.3894 57.3442 41.3437 178.2153 107 D 4.2332 7.8841 117.6744 56.5951 40.7625 176.5142 108 Y 5.0470 7.6357 114.6213 57.9011 38.2995 176.2072 109 V 4.4413 7.6559 112.1991 61.5815 32.0850 175.7050 110 H 4.8476 8.2077 113.9489 54.6912 29.9366 173.7716 111 D 4.6010 7.9795 119.8822 52.1066 43.4434 175.5937 112 G 3.7150 8.8359 115.2820 48.6021 0.0000 174.4416 113 I 3.8031 7.9347 121.8450 64.3094 37.2022 178.6487 114 V 3.5955 7.9466 118.7004 65.9702 31.4574 177.7479 115 F 4.0080 8.6861 120.3577 60.8390 39.0500 176.9776 116 A 3.9543 8.0498 120.8723 55.1103 18.1369 179.1950 117 E 3.7981 7.7890 117.4205 59.2678 29.5589 179.1361 118 I 3.2495 7.0442 119.7076 64.1712 36.9980 178.3970 119 L 3.9128 7.6532 119.9372 57.8979 41.4132 179.0457 120 H 4.1533 8.4169 118.3508 59.4675 29.8333 177.2649 121 E 4.0642 8.4929 120.5079 59.2967 29.2445 179.0752 122 F 4.1356 8.7857 121.0842 61.4462 39.3816 176.5222 123 Y 3.9971 8.5332 119.4623 60.8288 38.6173 178.1259 124 Q 4.0677 8.2593 118.9849 59.0166 28.7882 178.9872 125 R 3.8294 8.0605 119.1351 59.3915 29.9992 178.9916 126 M 3.9967 7.8241 118.6002 58.3113 31.8817 178.6208 127 E 3.7782 7.9584 118.9408 59.3517 29.3677 179.5419 128 I 3.5937 7.2453 118.5212 64.1766 37.5739 177.9750 129 L 3.8292 7.6176 121.1432 58.0527 41.7358 178.3416 130 N 4.3984 8.3860 117.5617 56.8280 38.6345 177.0107 131 G 3.6121 7.9641 105.8138 46.7204 0.0000 175.0109 132 V 4.2445 7.2194 111.6492 60.9875 32.2619 175.8368 133 L 4.2588 7.5042 124.7804 54.7899 41.7004 176.2051 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.50 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 S 7.63 4.52 0.00 3.82 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 3 N 9.74 4.76 0.00 3.00 3.02 0.00 0.00 7.31 7.79 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 4 I 7.36 3.68 1.85 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 1.50 0.62 0.90 0.00 0.00 5 N 8.06 4.38 0.00 2.70 2.83 0.00 0.00 6.73 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.77 3.83 0.00 1.70 1.77 0.72 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.04 3.55 2.22 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 1.00 0.00 0.00 0.98 0.00 0.00 8 Q 8.10 3.95 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 9 L 7.92 3.85 0.00 1.72 1.58 0.79 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.79 3.69 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 1.01 0.00 0.00 1.03 0.00 0.00 11 R 8.19 3.91 0.00 2.19 2.12 0.00 3.26 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 12 D 8.49 4.61 0.00 2.97 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 13 S 8.39 4.45 0.00 4.20 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 14 L 8.10 4.12 0.00 1.93 1.70 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.87 4.01 0.00 3.15 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 16 T 7.58 4.11 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 1.23 0.00 0.00 17 I 7.63 3.94 1.82 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 1.42 0.65 0.83 0.00 0.00 18 G 8.01 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 19 C 7.52 4.54 0.00 2.85 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 20 P 0.00 4.37 0.00 2.12 2.07 0.00 3.60 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 1.98 1.91 0.00 21 P 0.00 4.61 0.00 2.14 2.01 0.00 3.45 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.67 0.00 22 S 7.48 4.25 0.00 3.99 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 23 I 7.59 3.99 1.99 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 1.53 0.58 0.86 0.00 0.00 24 I 7.12 4.85 1.94 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 1.25 0.53 0.89 0.00 0.00 25 T 8.90 4.91 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 26 D 8.26 4.83 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.21 0.00 1.68 1.77 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.32 4.56 0.00 2.87 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 29 S 8.52 4.62 0.00 3.91 4.07 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 30 H 8.57 4.87 0.00 3.12 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.60 4.63 0.00 4.03 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 32 A 8.31 4.45 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 33 I 8.69 4.55 1.83 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 1.21 0.68 0.91 0.00 0.00 34 T 8.85 4.81 4.17 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 1.10 0.00 0.00 35 I 8.55 4.72 1.83 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 1.19 0.66 0.88 0.00 0.00 36 S 8.56 4.62 0.00 3.74 3.76 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 37 L 8.26 4.83 0.00 1.60 1.64 1.16 1.14 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 38 D 8.57 4.40 0.00 2.80 2.61 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 39 S 9.12 4.16 0.00 4.04 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 40 M 7.34 4.80 0.00 1.73 1.89 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 41 P 0.00 4.15 0.00 1.43 1.70 0.00 3.19 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.51 0.00 42 A 7.97 4.32 1.14 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 0.00 0.00 43 I 8.24 4.13 1.84 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 0.83 0.00 0.00 44 N 8.47 4.93 0.00 1.44 1.42 0.00 0.00 6.35 6.92 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 45 I 8.23 5.14 1.85 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 1.09 0.60 1.02 0.00 0.00 46 A 9.18 4.93 1.49 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 0.00 0.00 47 L 8.53 4.80 0.00 1.57 1.66 0.91 0.83 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 48 V 8.88 4.15 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 0.92 0.00 0.00 0.96 0.00 0.00 49 N 9.22 4.22 0.00 2.87 2.90 0.00 0.00 7.10 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 50 E 8.46 3.83 0.00 2.07 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 2.20 2.38 0.00 51 Q 7.54 4.65 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 52 V 8.35 4.41 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 1.14 0.00 0.00 0.91 0.00 0.00 53 M 9.39 5.29 0.00 2.21 1.89 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 54 L 8.96 5.46 0.00 1.01 0.50 0.95 0.11 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 55 W 8.66 5.95 0.00 3.51 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 56 A 9.55 4.89 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 57 N 8.55 4.88 0.00 1.93 1.42 0.00 0.00 7.03 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 9.00 4.67 0.00 3.23 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 59 D 8.99 5.04 0.00 2.68 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 60 A 8.83 4.32 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.50 0.00 2.20 2.07 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 62 S 8.28 4.40 0.00 4.07 4.05 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 0.00 0.00 0.00 63 D 8.57 4.37 0.00 2.79 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 64 V 7.73 3.68 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 0.81 0.00 0.00 0.93 0.00 0.00 65 K 7.97 3.96 0.00 1.87 1.96 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 66 L 7.98 3.96 0.00 1.97 1.79 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.88 3.98 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 68 S 8.00 4.34 0.00 4.09 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 69 S 7.61 4.67 0.00 3.96 3.85 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 0.00 0.00 0.00 0.00 70 A 7.88 3.98 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 Y 8.04 4.09 0.00 2.95 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 72 N 8.15 4.14 0.00 2.87 2.78 0.00 0.00 7.10 7.35 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 73 I 7.87 3.64 1.81 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 1.29 0.61 0.83 0.00 0.00 74 L 8.21 3.87 0.00 1.79 1.76 0.90 0.56 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 75 N 7.69 4.20 0.00 2.61 2.65 0.00 0.00 7.04 7.13 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 76 L 7.70 4.02 0.00 1.67 1.76 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 77 M 7.94 4.13 0.00 1.99 2.07 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 2.58 2.85 0.00 78 L 7.67 4.33 0.00 1.59 1.69 0.90 0.75 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 79 M 7.24 4.24 0.00 2.08 2.15 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 2.93 2.49 0.00 80 N 8.65 4.65 0.00 2.72 2.76 0.00 0.00 6.79 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.06 4.65 0.00 3.07 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.22 3.99 0.00 2.88 3.35 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 83 Y 7.21 4.34 0.00 3.09 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 84 S 8.16 5.08 0.00 4.15 4.18 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 85 I 8.58 3.96 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 1.02 0.00 0.00 86 N 7.85 4.85 0.00 2.86 2.94 0.00 0.00 6.95 7.81 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 87 E 8.51 4.09 0.00 2.26 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 0.00 2.22 2.29 0.00 88 L 8.02 5.18 0.00 1.82 1.53 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.16 4.27 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 0.79 0.00 0.00 0.49 0.00 0.00 90 E 9.42 4.75 0.00 2.12 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 91 L 8.34 5.26 0.00 1.45 1.53 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 H 9.49 4.96 0.00 3.05 3.19 0.00 5.57 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 93 R 8.74 5.19 0.00 1.82 1.81 0.00 3.19 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 94 S 8.79 4.88 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.77 4.48 0.00 2.64 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 E 8.01 4.26 0.00 1.20 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 2.14 2.16 0.00 97 Y 7.98 5.63 0.00 3.01 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 98 L 9.37 4.99 0.00 1.78 1.64 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 9.43 5.25 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.77 0.00 100 L 9.05 5.08 0.00 1.99 1.72 0.84 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 101 R 9.42 5.52 0.00 2.12 1.83 0.00 3.28 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 102 V 9.04 4.79 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 0.51 0.00 0.00 0.90 0.00 0.00 103 V 8.45 4.83 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 1.13 0.00 0.00 0.96 0.00 0.00 104 I 8.79 4.96 2.10 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 1.30 0.00 0.00 105 K 9.16 4.20 0.00 1.94 1.85 0.00 1.99 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.65 7.81 106 D 8.74 4.43 0.00 2.77 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 0.00 107 D 7.88 4.23 0.00 1.58 2.22 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 0.00 108 Y 7.64 5.05 0.00 3.20 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.66 4.44 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 0.93 0.00 0.00 0.75 0.00 0.00 110 H 8.21 4.85 0.00 3.11 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.98 4.60 0.00 2.73 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 0.00 112 G 8.84 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 0.00 0.00 0.00 113 I 7.93 3.80 2.04 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 1.43 0.86 0.93 0.00 0.00 114 V 7.95 3.60 2.35 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 1.12 0.00 0.00 1.11 0.00 0.00 115 F 8.69 4.01 0.00 3.18 3.06 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 0.00 116 A 8.05 3.95 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 0.00 117 E 7.79 3.80 0.00 2.02 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 2.31 2.36 0.00 118 I 7.04 3.25 1.24 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 0.28 -0.36 0.69 0.00 0.00 119 L 7.65 3.91 0.00 1.74 1.69 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.42 4.15 0.00 3.26 3.52 0.00 5.78 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 0.00 121 E 8.49 4.06 0.00 2.18 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 2.40 2.63 0.00 122 F 8.79 4.14 0.00 3.22 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 0.00 123 Y 8.53 4.00 0.00 3.20 3.16 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 0.00 124 Q 8.26 4.07 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 125 R 8.06 3.83 0.00 1.60 1.78 0.00 3.31 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 1.97 1.78 0.00 126 M 7.82 4.00 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.50 0.00 127 E 7.96 3.78 0.00 2.01 1.85 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 0.00 1.95 1.63 0.00 128 I 7.25 3.59 1.89 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 1.34 0.49 0.81 0.00 0.00 129 L 7.62 3.83 0.00 1.42 1.24 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.39 4.40 0.00 3.16 2.95 0.00 0.00 7.15 7.69 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 0.00 131 G 7.96 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.22 4.24 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 0.81 0.00 0.00 0.91 0.00 0.00 133 L 7.50 4.26 0.00 1.55 1.56 0.69 0.70 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