NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3491 8.0976 119.0646 55.7639 31.8876 177.5590 4 P 4.2800 0.0000 0.0000 63.4969 31.3604 174.4453 5 E 4.1722 8.7977 116.5538 57.6931 30.2876 179.9145 6 S 3.9772 7.4944 116.2995 61.5225 62.8381 175.9538 7 E 3.9395 7.9257 122.1193 59.1945 29.4472 178.7747 8 L 4.1013 7.7747 118.5848 57.7682 41.6807 179.4900 9 I 3.3841 7.8541 119.8016 64.2816 36.6198 178.4623 10 R 4.0322 7.9532 118.7657 59.6516 29.7595 179.2280 11 Q 4.1148 8.4536 116.6906 59.0592 27.4595 178.7434 12 S 4.4450 8.2398 114.9041 61.2538 63.0431 176.2966 13 W 4.7666 8.9252 131.8929 59.8342 30.2008 177.9145 14 R 3.8516 7.6729 118.2746 59.3065 29.7391 178.2705 15 V 3.6920 7.1579 117.6774 65.2363 31.1922 178.7434 16 V 2.9630 7.3041 112.8857 62.9907 31.3131 178.2478 17 S 3.7474 7.1777 112.7393 60.3185 62.8863 176.2798 18 R 4.1236 7.1126 121.1498 57.8534 31.4613 177.0690 19 S 4.6460 7.6255 112.9253 54.8564 63.3140 172.5680 20 P 4.1610 0.0000 0.0000 66.5374 31.3860 178.4499 21 L 3.9607 7.8323 119.5982 57.8685 41.9964 178.5299 22 E 3.9300 8.1123 118.0325 59.8863 29.4863 179.0264 23 H 4.2007 8.2189 115.9569 58.7653 28.7231 178.1608 24 G 3.7853 8.7169 107.9344 48.1111 0.0000 175.9257 25 T 4.0462 8.2866 118.2442 66.2943 68.3761 176.8474 26 V 3.6148 7.5582 120.4183 65.9444 31.4690 177.6707 27 L 3.8600 7.8117 119.7856 58.4225 41.9358 179.0722 28 F 3.5711 8.3983 117.4111 60.1222 38.7919 177.5163 29 A 4.1136 8.4890 120.9265 55.2046 18.2561 179.5988 30 R 3.5618 8.0803 117.2311 59.3506 30.0157 178.3214 31 L 3.8380 7.6665 121.6545 57.7016 42.1182 179.0998 32 F 4.5795 8.0336 117.2012 60.3246 38.5998 177.6580 33 A 4.1426 7.9293 120.0920 54.8493 18.1792 179.1170 34 L 4.2860 7.6558 116.5045 56.0551 43.5761 177.2017 35 E 4.6951 8.3772 119.0297 52.6129 29.7835 173.5712 36 P 4.6502 0.0000 0.0000 64.3080 31.6092 177.5654 37 S 4.3820 8.0303 111.1920 60.3118 63.4165 175.7607 38 L 4.2798 8.2486 123.2725 57.2822 41.2172 178.6287 39 L 3.8945 8.0666 120.9882 57.8254 41.7344 177.0767 40 P 4.3999 0.0000 0.0000 64.4542 31.3917 177.9478 41 L 4.2159 7.8474 117.5120 55.9869 42.5516 177.5636 42 F 4.1015 7.6678 118.6794 55.7988 37.3796 172.8282 43 Q 4.3135 7.4357 122.3622 53.4169 29.6241 174.1735 44 Y 4.7545 7.7203 123.2221 57.1957 40.5686 175.6806 45 N 4.3373 9.7382 122.5546 54.8312 37.3863 174.3755 46 G 3.9465 8.4512 100.7643 45.8290 0.0000 173.9787 47 R 4.6157 7.5563 117.5467 53.9093 33.1675 174.3966 48 Q 4.4519 8.1140 120.7317 53.8964 30.9747 175.3894 49 F 4.5420 8.0051 123.8069 57.6252 39.7539 175.4961 50 S 4.2545 9.0491 120.3098 60.6893 62.8225 174.0886 51 S 4.7850 8.4889 115.1267 55.5821 66.3898 173.2165 52 P 3.8132 0.0000 0.0000 65.5322 31.0045 178.9151 53 E 3.9539 8.0329 115.6291 59.0361 30.1628 178.6169 54 D 4.2377 7.8775 120.2626 57.3019 40.7398 178.8809 55 S 2.0000 7.0029 114.4872 60.3939 62.4509 176.1353 56 L 4.2314 7.0237 120.0865 56.2937 41.4988 178.2470 57 S 4.6291 7.4752 113.4746 57.4761 63.5650 173.6168 58 S 4.6204 7.4616 118.8658 56.2213 62.8268 172.7874 59 P 4.2694 0.0000 0.0000 66.1180 30.9395 178.3103 60 E 3.6922 7.9309 117.8095 58.9217 29.2775 178.8834 61 F 4.0996 8.0378 120.6808 61.3263 39.5143 177.2614 62 L 3.8640 8.1342 118.6110 57.6853 41.3471 179.1973 63 D 4.3212 8.2704 119.2907 57.5066 40.6499 178.2648 64 H 4.1108 8.0422 118.6882 59.2198 29.8605 177.0306 65 I 3.4449 7.1493 121.6081 64.7109 36.9459 178.4529 66 R 3.9658 7.9292 118.3967 59.1712 29.8652 179.2583 67 K 4.0160 8.0895 118.2887 59.4055 32.0834 179.4521 68 V 3.7288 8.1113 118.8065 66.5541 31.4311 178.0866 69 M 4.4383 8.2553 118.3424 58.4609 31.8063 178.8089 70 L 4.1502 8.3330 119.3506 57.6298 41.7322 179.6975 71 V 3.7321 8.0807 118.5369 65.9583 31.4764 178.1873 72 I 3.6827 8.0374 119.6951 64.3842 36.9464 177.8162 73 D 4.1803 8.6277 119.0026 57.3215 41.0128 178.2695 74 A 3.9957 8.1379 121.1318 54.8822 18.0994 179.5026 75 A 3.8674 7.6393 118.7519 55.1217 18.7280 179.6846 76 V 3.4161 7.5884 116.7660 66.4758 31.3522 178.3148 77 T 3.9315 7.6778 114.0290 65.9594 68.3957 175.3154 78 N 4.9234 7.8836 117.2757 52.8003 39.4020 177.3170 79 V 3.5200 7.3652 123.4541 64.8383 31.3081 177.1560 80 E 4.0551 7.9686 117.6330 57.8060 29.7757 176.4000 81 D 4.3760 7.9770 117.0640 52.7115 42.5616 175.3463 82 L 4.1404 8.1703 126.1903 55.8070 41.9397 178.4808 83 S 4.2043 8.0393 114.7897 61.0740 62.6074 176.5025 84 S 4.1599 7.5518 117.8772 60.6212 62.8446 175.2890 85 L 4.5698 7.8320 119.9576 54.3746 42.0328 177.6934 86 E 3.9106 7.6985 121.0893 59.5739 29.5036 178.5978 87 E 3.9516 8.1533 117.7157 59.6468 29.6488 178.6052 88 Y 4.1018 7.9994 119.0083 60.7319 38.8961 177.8813 89 L 3.8319 8.4818 120.3539 57.7432 41.7290 179.3531 90 T 4.0410 8.6154 117.7699 66.1268 68.4650 176.7274 91 S 4.0466 7.7694 115.4966 61.1903 63.0177 176.2093 92 L 3.8965 7.6573 124.1293 57.6709 41.6654 179.2517 93 G 3.4296 8.0582 105.9888 47.5233 0.0000 175.5841 94 R 3.5272 7.6541 121.2822 58.9141 30.0595 177.9523 95 K 3.6467 7.7891 119.1475 60.4374 32.0502 178.2149 96 H 4.1691 8.1356 115.8879 58.5672 28.6751 177.6470 97 R 3.7153 7.4856 120.8012 59.5152 29.4860 178.2489 98 A 3.9235 7.5749 118.7940 55.2815 18.4365 179.4842 99 V 3.8027 7.5388 108.6309 61.9483 31.8455 177.2137 100 G 4.1060 7.6426 106.6896 45.0406 0.0000 173.8465 101 V 3.9395 7.8787 120.3554 62.1832 32.3001 176.1627 102 R 4.4140 8.5801 126.2539 55.6835 31.1485 177.0969 103 L 3.0938 8.4045 123.3567 58.2089 41.8618 179.5961 104 S 4.1063 7.9686 113.4333 61.6583 62.8491 176.4589 105 S 4.1724 8.1126 118.3184 61.1083 62.4907 176.3070 106 F 4.2416 8.3356 120.5117 59.5786 38.5237 177.7136 107 S 4.3089 8.2897 114.8595 61.7635 62.8189 176.6005 108 T 3.7806 7.8463 118.9821 66.1055 68.1603 176.4223 109 V 3.4417 7.6736 120.0681 65.9397 31.4392 178.1723 110 G 2.8298 7.9070 105.1616 47.7530 0.0000 175.4457 111 E 3.9376 8.2227 121.2391 59.1325 29.1487 179.7266 112 S 4.0622 8.0566 115.5108 61.0955 62.7761 176.4441 113 L 3.7983 7.9989 123.5496 58.1782 41.7751 179.1121 114 L 3.8687 7.9503 119.0594 57.6735 41.4382 178.9622 115 Y 3.8757 7.9507 119.6353 60.8449 38.7923 177.7368 116 M 3.6715 8.0715 119.1550 58.3385 32.2789 178.1356 117 L 3.5732 7.5468 119.1413 57.5484 41.7399 178.8702 118 E 3.0811 6.9941 119.2650 59.1859 29.2105 179.1970 119 K 3.7876 7.2651 116.9315 59.2373 32.0453 179.3484 120 S 4.1790 7.6591 114.8698 61.2017 63.0837 176.0576 121 L 4.3002 8.4468 121.2589 53.6050 41.9530 178.9811 122 G 3.8481 8.5618 107.7137 45.3709 0.0000 175.2747 123 P 4.2350 0.0000 0.0000 65.4497 30.8054 176.8317 124 D 4.5426 8.2142 117.3132 55.7941 41.0449 176.9773 125 F 4.6755 8.1396 123.9403 57.0383 37.8118 175.5621 126 T 4.1711 7.4845 115.4406 60.2897 71.2900 173.7521 127 P 4.0873 0.0000 0.0000 65.5152 31.3286 178.8809 128 A 3.9523 7.8658 119.4102 55.1642 18.3236 179.6879 129 T 3.8550 7.4931 114.3453 66.5114 68.4366 176.7976 130 R 3.6564 7.6043 120.9431 59.7907 30.0726 178.5457 131 T 3.8517 8.0450 115.2199 66.6236 68.4075 176.3659 132 A 3.9481 8.0451 122.4559 55.1531 18.4375 179.8274 133 W 4.0674 8.3749 117.4259 59.7405 29.0095 178.7769 134 S 4.3140 8.5895 113.5434 61.5759 61.8636 176.5135 135 R 3.9746 8.2573 120.7929 58.8232 29.9141 178.6318 136 L 3.8488 8.2563 120.6376 58.4216 42.0817 178.4724 137 Y 4.2121 8.7811 119.9599 60.6132 38.6922 178.0207 138 G 3.6692 8.6164 106.8048 47.9606 0.0000 175.5028 139 A 3.9559 8.0539 123.0694 54.5798 18.2977 179.9925 140 V 3.3833 7.4617 116.7717 66.2361 31.5721 178.5730 141 V 3.2765 7.4348 118.0122 65.5110 30.7941 177.5530 142 Q 3.8420 8.1037 119.3878 59.2313 28.7334 178.2728 143 A 3.8347 7.8147 121.4854 55.6843 18.3460 179.5794 144 M 4.3391 8.1731 117.3097 58.4162 31.9724 179.1312 145 S 4.2038 8.3204 114.7864 61.3082 63.0010 176.5458 146 R 4.1032 7.7484 121.7651 59.3017 29.5252 178.9499 147 G 3.5956 8.2517 104.5544 46.7278 0.0000 174.1978 148 W 4.5511 8.1557 119.4094 56.6559 29.4134 176.1035 149 D 4.3131 8.0010 124.0830 53.7250 38.8919 174.9839 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 R 8.10 4.35 0.00 1.75 2.00 0.00 3.21 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 4 P 0.00 4.28 0.00 2.32 2.31 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 5 E 8.80 4.17 0.00 2.24 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 0.00 2.36 1.96 0.00 6 S 7.49 3.98 0.00 4.18 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 7 E 7.93 3.94 0.00 2.05 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 2.31 2.40 0.00 8 L 7.77 4.10 0.00 1.81 1.72 0.90 0.75 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 9 I 7.85 3.38 1.74 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.51 0.18 0.00 0.00 10 R 7.95 4.03 0.00 2.03 2.04 0.00 3.12 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 Q 8.45 4.11 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.99 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 12 S 8.24 4.44 0.00 4.43 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 0.00 13 W 8.93 4.77 0.00 3.95 3.48 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 14 R 7.67 3.85 0.00 1.97 2.05 0.00 3.33 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 15 V 7.16 3.69 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 0.80 0.00 0.00 0.88 0.00 0.00 16 V 7.30 2.96 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.20 0.00 0.00 17 S 7.18 3.75 0.00 3.80 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 18 R 7.11 4.12 0.00 1.98 1.97 0.00 3.25 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 19 S 7.63 4.65 0.00 3.91 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 20 P 0.00 4.16 0.00 2.30 2.31 0.00 3.66 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 2.06 2.01 0.00 21 L 7.83 3.96 0.00 1.77 1.69 0.94 0.99 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 22 E 8.11 3.93 0.00 2.16 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 2.37 2.39 0.00 23 H 8.22 4.20 0.00 3.17 3.27 0.00 5.82 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 24 G 8.72 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 25 T 8.29 4.05 4.45 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 0.00 0.00 0.00 1.27 0.00 0.00 26 V 7.56 3.61 2.26 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 1.15 0.00 0.00 0.95 0.00 0.00 27 L 7.81 3.86 0.00 1.72 1.77 0.84 0.31 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 28 F 8.40 3.57 0.00 3.21 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 29 A 8.49 4.11 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 30 R 8.08 3.56 0.00 1.69 1.99 0.00 2.65 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.33 0.00 31 L 7.67 3.84 0.00 1.45 1.33 0.76 0.76 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 32 F 8.03 4.58 0.00 3.16 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 33 A 7.93 4.14 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 34 L 7.66 4.29 0.00 1.72 1.68 0.77 0.71 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 35 E 8.38 4.70 0.00 1.92 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 2.25 2.29 0.00 36 P 0.00 4.65 0.00 2.22 2.12 0.00 3.96 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 37 S 8.03 4.38 0.00 4.06 4.02 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 0.00 0.00 0.00 38 L 8.25 4.28 0.00 2.25 2.14 0.96 0.48 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 39 L 8.07 3.89 0.00 1.24 1.64 -0.02 0.88 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 40 P 0.00 4.40 0.00 2.05 2.22 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 41 L 7.85 4.22 0.00 1.54 1.52 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.67 4.10 0.00 3.29 3.28 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 43 Q 7.44 4.31 0.00 1.80 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.68 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 44 Y 7.72 4.75 0.00 3.03 2.79 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 45 N 9.74 4.34 0.00 2.87 2.91 0.00 0.00 7.11 7.98 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 46 G 8.45 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 0.00 0.00 0.00 47 R 7.56 4.62 0.00 1.70 1.73 0.00 3.24 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 48 Q 8.11 4.45 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 49 F 8.01 4.54 0.00 2.97 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 50 S 9.05 4.25 0.00 3.84 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 51 S 8.49 4.79 0.00 3.76 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 52 P 0.00 3.81 0.00 2.14 2.14 0.00 3.52 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 53 E 8.03 3.95 0.00 2.05 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 2.28 2.23 0.00 54 D 7.88 4.24 0.00 2.70 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 55 S 7.00 2.00 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.02 4.23 0.00 1.71 1.76 0.94 1.00 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 57 S 7.48 4.63 0.00 3.85 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 58 S 7.46 4.62 0.00 4.21 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 59 P 0.00 4.27 0.00 2.27 2.28 0.00 3.78 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 60 E 7.93 3.69 0.00 1.16 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 2.13 2.23 0.00 61 F 8.04 4.10 0.00 3.47 3.31 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 62 L 8.13 3.86 0.00 1.71 1.67 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.27 4.32 0.00 2.80 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 64 H 8.04 4.11 0.00 3.30 3.18 0.00 5.61 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 65 I 7.15 3.44 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 0.82 -0.32 0.97 0.00 0.00 66 R 7.93 3.97 0.00 2.04 1.99 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 67 K 8.09 4.02 0.00 1.99 1.94 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.68 7.81 68 V 8.11 3.73 2.45 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 1.29 0.00 0.00 1.07 0.00 0.00 69 M 8.26 4.44 0.00 2.32 2.34 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 2.94 3.04 0.00 70 L 8.33 4.15 0.00 1.78 1.78 0.97 0.75 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 71 V 8.08 3.73 2.38 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 1.22 0.00 0.00 1.25 0.00 0.00 72 I 8.04 3.68 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.49 0.00 0.00 73 D 8.63 4.18 0.00 3.34 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 74 A 8.14 4.00 1.36 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 0.00 0.00 75 A 7.64 3.87 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.59 3.42 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 1.00 0.00 0.00 0.22 0.00 0.00 77 T 7.68 3.93 4.36 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 1.20 0.00 0.00 78 N 7.88 4.92 0.00 2.77 2.96 0.00 0.00 6.72 7.83 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 79 V 7.37 3.52 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 0.60 0.00 0.00 0.73 0.00 0.00 80 E 7.97 4.06 0.00 1.95 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 2.26 2.20 0.00 81 D 7.98 4.38 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.17 4.14 0.00 1.69 1.65 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.04 4.20 0.00 3.99 4.11 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 0.00 0.00 0.00 84 S 7.55 4.16 0.00 3.97 3.96 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 85 L 7.83 4.57 0.00 1.85 1.77 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.70 3.91 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 87 E 8.15 3.95 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 2.42 2.33 0.00 88 Y 8.00 4.10 0.00 3.09 3.15 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 0.00 89 L 8.48 3.83 0.00 1.67 1.64 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.62 4.04 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 1.18 0.00 0.00 91 S 7.77 4.05 0.00 3.94 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 92 L 7.66 3.90 0.00 1.33 1.63 0.94 0.83 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 93 G 8.06 3.43 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 0.00 94 R 7.65 3.53 0.00 1.94 1.88 0.00 3.24 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 95 K 7.79 3.65 0.00 1.80 1.92 0.00 1.49 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.40 7.81 96 H 8.14 4.17 0.00 3.42 3.76 0.00 5.89 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 97 R 7.49 3.72 0.00 0.67 1.46 0.00 2.61 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.39 0.00 98 A 7.57 3.92 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 99 V 7.54 3.80 1.97 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 0.71 0.00 0.00 0.97 0.00 0.00 100 G 7.64 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.88 3.94 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 0.80 0.00 0.00 1.06 0.00 0.00 102 R 8.58 4.41 0.00 1.96 1.87 0.00 3.23 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 103 L 8.40 3.09 0.00 0.74 1.23 0.62 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.97 4.11 0.00 4.07 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 0.00 105 S 8.11 4.17 0.00 3.98 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 0.00 106 F 8.34 4.24 0.00 3.17 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 0.00 107 S 8.29 4.31 0.00 4.11 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 0.00 108 T 7.85 3.78 4.27 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 1.14 0.00 0.00 109 V 7.67 3.44 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 1.08 0.00 0.00 0.73 0.00 0.00 110 G 7.91 2.83 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 0.00 111 E 8.22 3.94 0.00 2.05 1.97 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 2.51 2.48 0.00 112 S 8.06 4.06 0.00 3.75 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 0.00 113 L 8.00 3.80 0.00 1.47 1.48 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.95 3.87 0.00 1.87 1.80 1.03 1.10 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 0.00 115 Y 7.95 3.88 0.00 3.04 3.08 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 0.00 116 M 8.07 3.67 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.61 0.00 117 L 7.55 3.57 0.00 1.08 1.09 -0.41 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 118 E 6.99 3.08 0.00 1.46 1.66 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 2.13 2.36 0.00 119 K 7.27 3.79 0.00 1.31 1.55 0.00 1.45 0.00 0.00 1.37 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.53 0.70 7.81 120 S 7.66 4.18 0.00 3.72 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 0.00 121 L 8.45 4.30 0.00 1.78 1.81 1.24 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.56 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 0.00 0.00 0.00 123 P 0.00 4.23 0.00 2.21 2.23 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 124 D 8.21 4.54 0.00 2.98 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 0.00 125 F 8.14 4.68 0.00 2.86 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 0.00 126 T 7.48 4.17 4.20 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 1.21 0.00 0.00 127 P 0.00 4.09 0.00 2.14 2.11 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 128 A 7.87 3.95 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 0.00 129 T 7.49 3.85 4.13 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 1.51 0.00 0.00 130 R 7.60 3.66 0.00 1.37 1.93 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 131 T 8.05 3.85 4.36 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 1.21 0.00 0.00 132 A 8.05 3.95 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 0.00 133 W 8.37 4.07 0.00 3.82 3.39 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 0.00 134 S 8.59 4.31 0.00 4.12 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.26 3.97 0.00 1.90 1.94 0.00 3.19 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 136 L 8.26 3.85 0.00 1.44 1.53 0.36 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.78 4.21 0.00 3.32 3.15 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 0.00 138 G 8.62 3.67 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 0.00 0.00 0.00 139 A 8.05 3.96 1.36 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 0.00 0.00 140 V 7.46 3.38 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 0.89 0.00 0.00 0.94 0.00 0.00 141 V 7.43 3.28 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.36 0.00 0.00 142 Q 8.10 3.84 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 143 A 7.81 3.83 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 M 8.17 4.34 0.00 1.98 2.01 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 2.65 2.59 0.00 145 S 8.32 4.20 0.00 3.93 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 0.00 146 R 7.75 4.10 0.00 2.06 2.05 0.00 3.24 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 147 G 8.25 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 0.00 148 W 8.16 4.55 0.00 3.59 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 0.00 149 D 8.00 4.31 0.00 2.72 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