NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4438 8.2893 120.3487 55.8955 33.0645 174.8261 2 T 4.2965 8.5991 114.3060 60.0567 69.9738 170.0084 3 E 4.5865 8.1025 123.3960 54.3152 32.1504 175.8768 4 H 4.0688 8.9145 126.6674 56.0745 30.6512 176.3037 5 S 3.9194 7.9830 121.7366 61.2691 62.2688 176.8282 6 L 4.0178 7.4075 122.7867 57.9277 41.7865 178.8813 7 W 4.6113 7.4012 118.4538 59.8945 28.9639 178.8008 8 R 4.0157 8.0500 117.6999 59.1985 29.5204 178.7187 9 F 4.4336 8.6268 120.7220 61.3884 39.4639 177.1757 10 S 3.8859 8.5649 113.1305 61.2645 62.2055 176.1456 11 R 3.8206 8.3009 121.3131 59.2968 29.8805 178.3293 12 A 4.0022 8.1021 120.6415 55.1221 18.4004 179.4142 13 L 3.8607 8.0839 119.2717 58.2409 42.0041 178.5138 14 H 4.0501 8.2161 118.2823 59.4976 29.8106 177.3115 15 R 3.9392 8.1889 119.5006 59.2355 29.7295 179.0327 16 A 4.1865 7.6517 121.2373 54.7089 18.2895 179.7778 17 L 3.9658 8.2397 116.6004 57.4048 41.7735 178.6624 18 N 4.6257 8.3080 115.3522 54.5727 38.6884 176.2469 19 D 4.7863 8.0632 117.4925 52.8076 41.5448 176.7149 20 R 4.2194 7.7517 116.1908 56.0839 27.5446 176.0403 21 Q 4.4862 7.5201 117.9868 54.9923 29.4632 176.2992 22 T 4.5480 7.8375 113.8612 61.5447 69.2931 176.0267 23 E 3.9704 7.9492 122.7473 59.9112 29.2878 178.7816 24 E 4.0476 8.1248 118.1794 59.1047 29.7092 178.9984 25 L 4.0541 7.9289 119.8445 58.1961 42.0917 178.7385 26 A 4.0718 8.0027 119.5291 55.4378 18.3076 179.4598 27 T 3.9929 7.6334 113.4236 66.5651 68.7945 176.2500 28 I 4.1646 7.5500 119.7078 61.6670 38.0501 175.3726 29 I 4.2980 7.2012 121.0677 60.4372 37.7135 175.2609 30 D 4.5100 8.7708 125.8844 54.2700 41.9688 176.7699 31 D 4.4296 9.0102 123.8358 56.3663 42.0946 177.1938 32 N 5.1160 8.3759 115.1964 52.3373 39.6227 174.9989 33 I 3.7947 7.6605 119.0312 62.0775 39.5172 173.9881 34 D 5.4553 9.1589 128.6143 51.7787 42.7271 174.4487 35 W 5.4604 9.0766 135.0000 55.6853 34.3382 173.9804 36 A 4.9781 8.4308 126.5411 50.7371 22.7505 175.0154 37 I 4.3246 8.1116 122.5524 59.4305 40.2291 174.4966 38 Y 4.4761 8.2744 126.2796 57.6901 38.1508 175.2224 39 G 3.7785 8.0535 112.2824 43.1994 0.0000 170.5816 40 P 4.6531 0.0000 0.0000 62.0207 31.5107 176.8570 41 I 4.0917 8.4068 118.0904 63.3295 37.5493 177.5906 42 D 4.2946 8.0147 120.2737 57.0642 40.7428 177.3585 43 M 4.0711 7.6586 117.1402 56.0406 33.3899 175.7383 44 F 4.0779 7.6201 119.8613 54.4115 39.2461 173.9366 45 P 4.4265 0.0000 0.0000 63.7479 31.4411 177.6589 46 F 4.5599 6.9276 111.6389 57.5858 38.3249 175.4890 47 F 4.9841 7.7157 121.3537 57.3997 39.9876 174.5311 48 G 3.8205 9.0843 107.6923 44.2634 0.0000 172.1820 49 A 4.9362 8.1061 119.5779 51.6902 19.7493 177.6013 50 R 4.8005 9.4758 118.9060 54.6692 34.9477 174.1452 51 Q 4.9603 8.8821 119.8521 55.3673 32.3355 176.1902 52 G 3.9350 9.3440 109.5723 45.7524 0.0000 174.2267 53 K 3.7483 8.5986 121.7468 59.3197 32.1286 179.1762 54 A 3.9198 7.9611 120.1310 55.2873 18.3647 179.3684 55 A 3.8987 7.8221 118.7097 55.1622 18.5180 179.9069 56 V 2.8811 7.5145 116.7541 65.7560 31.4218 178.3195 57 L 3.9208 8.1589 119.2932 57.4747 41.3568 179.1367 58 E 3.8483 8.0611 119.4513 59.1181 29.5817 178.6924 59 V 3.8123 7.6117 118.3380 66.7113 31.4636 177.9312 60 C 4.1724 8.0505 115.8983 62.3970 27.8870 176.1865 61 R 3.8319 8.0295 120.7730 59.4922 29.4894 178.5562 62 Q 4.0137 7.9302 116.6374 58.9803 28.9898 178.5952 63 I 3.1315 7.6117 120.5810 64.0540 36.8739 178.2549 64 A 3.9653 7.8236 120.5019 55.3979 18.2455 179.1378 65 D 4.4166 7.9652 116.3318 57.2844 41.0962 178.5264 66 S 4.5420 7.9829 115.1105 59.2458 63.2641 174.2140 67 V 5.0496 6.9137 112.0155 59.5676 36.1008 174.8134 68 R 4.5766 9.0608 122.9385 54.6786 33.0351 174.0887 69 I 4.5507 8.2662 127.8814 60.5670 37.5498 175.2135 70 Y 4.7954 8.4458 124.5869 57.0311 39.9600 175.8542 71 R 4.7374 6.9732 119.7828 55.1845 33.7983 172.8542 72 Y 5.2089 8.8188 122.6248 56.4675 41.2281 174.5238 73 H 4.8728 9.6169 122.9789 54.5060 33.2142 171.8259 74 R 4.6139 8.5943 126.7014 55.4637 30.2289 175.1667 75 E 4.4379 9.2853 127.1046 58.2085 30.9017 177.1686 76 S 4.7650 7.7340 113.3391 57.0751 67.8097 173.6798 77 V 4.7292 8.2794 122.2769 61.8266 34.6543 173.8511 78 M 4.6587 9.4466 127.6673 53.7309 34.6378 174.2484 79 L 4.7303 8.5697 124.0144 52.9830 43.7214 176.4617 80 G 4.3210 8.6509 112.5611 43.4868 0.0000 172.7429 81 I 3.8871 8.5561 118.9078 64.3689 37.1337 178.2163 82 D 5.2389 7.7436 119.3224 53.3440 42.3000 175.1824 83 S 5.2990 8.1692 110.0731 58.1612 66.2562 173.0856 84 A 5.0633 8.7723 120.8615 51.0999 23.1017 175.1355 85 A 4.8722 8.9217 121.5475 50.1935 22.6066 175.5007 86 S 4.8005 8.7193 114.8413 57.4282 67.2966 172.7149 87 M 5.1153 8.9355 121.3515 54.0139 34.3167 174.9588 88 V 5.0114 8.7972 118.3900 59.7486 37.0335 173.9994 89 R 5.0648 9.3276 124.0372 54.8990 32.5824 173.9771 90 Y 5.0612 8.9629 124.2660 56.4616 40.6117 174.6751 91 S 5.0156 8.6413 120.7485 56.6277 65.1614 173.3380 92 L 5.3307 9.0404 124.5798 54.2988 44.7234 174.9356 93 T 5.2138 9.1845 113.3483 59.9749 70.7326 172.7341 94 A 4.7288 9.0644 130.7802 51.5018 19.5765 176.7651 95 A 4.0898 8.7005 125.3246 53.8535 18.6454 177.1560 96 G 4.2841 9.1626 115.3149 46.1755 0.0000 175.1512 97 T 4.0977 7.7385 107.8035 61.2904 69.4961 174.6180 98 N 4.2864 8.2100 117.7719 53.7873 36.9060 173.8867 99 R 4.0275 7.6313 119.0925 56.2798 30.9771 173.9704 100 P 5.1478 0.0000 0.0000 62.5812 32.5525 175.8574 101 I 4.8921 9.3183 124.0670 59.7547 41.6511 173.8840 102 S 5.2023 9.5143 121.8513 56.5060 64.3571 173.2853 103 V 4.3983 8.8744 126.7190 61.0861 34.6163 173.7692 104 R 4.9722 8.5885 128.0871 55.0645 32.0695 174.5607 105 M 5.2546 9.1615 125.1141 53.4044 36.8280 174.0198 106 A 5.0715 9.1641 123.3043 50.0335 22.1190 174.8526 107 L 5.0544 9.0299 125.0000 53.1626 45.2252 174.9909 108 F 5.2812 9.4196 125.3989 55.8316 41.8262 174.5117 109 T 4.9470 9.1642 113.8051 59.8584 72.1947 172.9001 110 Q 5.0728 8.5734 121.8204 54.2523 32.6078 174.4947 111 F 5.3764 9.1846 120.2860 56.1064 43.3774 174.7671 112 Q 4.4253 9.1037 119.9432 55.7867 32.3851 175.1098 113 N 4.2870 9.9638 119.9270 54.4144 36.1139 175.2149 114 G 3.9348 8.6687 103.7461 45.5330 0.0000 174.0460 115 R 4.8512 7.9145 118.6565 53.6917 32.7848 174.9258 116 L 4.1543 9.0271 124.7551 55.4315 42.3589 177.0501 117 T 4.4109 8.6710 116.7453 62.0664 71.5953 173.8403 118 N 5.3885 7.5139 120.5547 52.0901 42.6707 172.7969 119 L 5.0618 8.8527 127.2089 53.3957 46.0922 175.0854 120 R 4.8325 8.9018 123.8841 54.6020 34.3366 173.7260 121 M 5.1639 8.7011 123.2568 53.6334 35.6181 173.9790 122 V 4.8128 8.7871 126.0570 61.0384 34.2105 174.2748 123 L 5.0700 8.1764 126.3180 53.2446 44.3898 177.3002 124 D 4.6533 8.5691 119.0665 54.0566 39.2107 176.3432 125 T 4.0591 8.0983 116.2048 63.9654 69.2663 176.5199 126 F 4.0960 8.2324 123.1852 61.2360 39.5482 176.4627 127 D 4.3676 8.3944 117.3563 57.1193 40.9464 177.9872 128 L 3.9641 7.9983 120.9331 58.2221 42.1713 179.1826 129 V 3.7124 7.9983 118.2337 66.0068 31.4087 177.7599 130 E 3.7939 8.2298 118.7024 59.5768 29.0638 179.4511 131 Q 4.0254 8.0569 116.6740 58.8847 28.8249 178.3728 132 A 4.1965 8.1151 121.1207 54.8772 18.4652 179.1301 133 L 4.2331 8.1596 117.3977 55.1237 41.7371 178.9206 134 G 4.0495 9.2138 105.6455 45.5206 0.0000 173.6194 135 R 4.1710 7.3719 123.9371 56.3420 31.3382 174.8471 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 8.29 4.44 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 2 T 8.60 4.30 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 3 E 8.10 4.59 0.00 1.95 1.91 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 2.36 2.38 0.00 4 H 8.91 4.07 0.00 3.22 2.79 0.00 5.74 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 5 S 7.98 3.92 0.00 2.72 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 6 L 7.41 4.02 0.00 1.47 0.75 1.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 7 W 7.40 4.61 0.00 3.61 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 8 R 8.05 4.02 0.00 2.04 2.05 0.00 3.15 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 9 F 8.63 4.43 0.00 3.28 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 10 S 8.56 3.89 0.00 4.17 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.30 3.82 0.00 1.99 2.07 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 12 A 8.10 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.08 3.86 0.00 1.22 1.55 0.99 0.86 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 14 H 8.22 4.05 0.00 3.32 3.45 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 15 R 8.19 3.94 0.00 2.07 2.06 0.00 3.25 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 16 A 7.65 4.19 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 17 L 8.24 3.97 0.00 1.55 1.71 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.31 4.63 0.00 2.66 2.80 0.00 0.00 6.92 7.88 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 19 D 8.06 4.79 0.00 2.93 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 20 R 7.75 4.22 0.00 1.92 1.98 0.00 3.50 0.00 0.00 2.26 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 21 Q 7.52 4.49 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 22 T 7.84 4.55 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 23 E 7.95 3.97 0.00 2.09 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 2.41 2.47 0.00 24 E 8.12 4.05 0.00 2.04 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 2.42 2.38 0.00 25 L 7.93 4.05 0.00 1.79 1.87 1.12 1.36 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 26 A 8.00 4.07 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 27 T 7.63 3.99 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 1.24 0.00 0.00 28 I 7.55 4.16 2.01 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 1.75 1.78 1.27 0.00 0.00 29 I 7.20 4.30 1.90 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.88 0.00 0.00 30 D 8.77 4.51 0.00 2.89 2.55 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 0.00 31 D 9.01 4.43 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.38 5.12 0.00 2.64 2.78 0.00 0.00 6.92 7.88 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 33 I 7.66 3.79 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.50 0.88 0.00 0.00 34 D 9.16 5.46 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 9.08 5.46 0.00 3.39 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 36 A 8.43 4.98 0.75 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 0.00 0.00 37 I 8.11 4.32 1.85 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.37 0.29 0.00 0.00 38 Y 8.27 4.48 0.00 2.78 2.85 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 39 G 8.05 3.78 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 0.00 0.00 0.00 40 P 0.00 4.65 0.00 2.37 2.35 0.00 4.23 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 41 I 8.41 4.09 1.90 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 1.69 0.81 1.04 0.00 0.00 42 D 8.01 4.29 0.00 2.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 M 7.66 4.07 0.00 1.12 1.71 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.04 0.00 44 F 7.62 4.08 0.00 1.96 1.45 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 0.00 45 P 0.00 4.43 0.00 2.03 2.06 0.00 3.45 0.00 0.00 2.71 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 46 F 6.93 4.56 0.00 3.18 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 47 F 7.72 4.98 0.00 3.12 2.94 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 0.00 0.00 0.00 48 G 9.08 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 49 A 8.11 4.94 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 50 R 9.48 4.80 0.00 1.60 1.70 0.00 3.23 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 51 Q 8.88 4.96 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.57 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 52 G 9.34 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.60 3.75 0.00 2.02 1.80 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 54 A 7.96 3.92 1.29 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 0.00 0.00 0.00 55 A 7.82 3.90 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 56 V 7.51 2.88 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.38 0.00 0.00 57 L 8.16 3.92 0.00 1.77 1.65 0.90 0.64 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 58 E 8.06 3.85 0.00 2.06 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 2.30 2.36 0.00 59 V 7.61 3.81 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 1.31 0.00 0.00 1.08 0.00 0.00 60 C 8.05 4.17 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.03 3.83 0.00 1.94 2.07 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 62 Q 7.93 4.01 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 63 I 7.61 3.13 1.82 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.09 0.79 0.00 0.00 64 A 7.82 3.97 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 65 D 7.97 4.42 0.00 2.86 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 66 S 7.98 4.54 0.00 3.96 4.01 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 67 V 6.91 5.05 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 0.73 0.00 0.00 1.00 0.00 0.00 68 R 9.06 4.58 0.00 1.81 1.75 0.00 3.08 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 69 I 8.27 4.55 1.51 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.44 -0.38 0.00 0.00 70 Y 8.45 4.80 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 71 R 6.97 4.74 0.00 1.77 1.46 0.00 3.11 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 72 Y 8.82 5.21 0.00 2.80 2.91 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 73 H 9.62 4.87 0.00 3.14 3.16 0.00 5.57 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.59 4.61 0.00 1.88 1.83 0.00 3.50 0.00 0.00 3.45 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 75 E 9.29 4.44 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 76 S 7.73 4.76 0.00 3.69 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 77 V 8.28 4.73 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 0.87 0.00 0.00 1.11 0.00 0.00 78 M 9.45 4.66 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 79 L 8.57 4.73 0.00 1.49 1.48 1.01 0.33 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 80 G 8.65 4.32 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 0.00 81 I 8.56 3.89 1.89 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 1.42 0.59 0.90 0.00 0.00 82 D 7.74 5.24 0.00 2.59 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 83 S 8.17 5.30 0.00 3.98 4.14 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 84 A 8.77 5.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.92 4.87 0.65 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 86 S 8.72 4.80 0.00 3.94 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 87 M 8.94 5.12 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 88 V 8.80 5.01 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 0.74 0.00 0.00 0.90 0.00 0.00 89 R 9.33 5.06 0.00 1.88 1.81 0.00 3.07 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 90 Y 8.96 5.06 0.00 2.68 2.55 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 0.00 91 S 8.64 5.02 0.00 2.72 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 92 L 9.04 5.33 0.00 1.80 1.60 0.98 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 93 T 9.18 5.21 4.30 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 1.32 0.00 0.00 94 A 9.06 4.73 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 95 A 8.70 4.09 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 96 G 9.16 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 97 T 7.74 4.10 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 98 N 8.21 4.29 0.00 2.88 2.92 0.00 0.00 6.91 7.10 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 99 R 7.63 4.03 0.00 1.94 1.86 0.00 3.16 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 100 P 0.00 5.15 0.00 2.05 2.07 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 101 I 9.32 4.89 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.96 0.00 0.00 102 S 9.51 5.20 0.00 3.83 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 0.00 103 V 8.87 4.40 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 0.91 0.00 0.00 0.95 0.00 0.00 104 R 8.59 4.97 0.00 1.92 1.76 0.00 3.18 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 105 M 9.16 5.25 0.00 1.78 1.68 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 106 A 9.16 5.07 1.24 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 0.00 0.00 0.00 107 L 9.03 5.05 0.00 1.60 1.51 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.42 5.28 0.00 2.89 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 0.00 109 T 9.16 4.95 3.52 0.00 0.00 0.00 0.00 0.00 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 0.00 110 Q 8.57 5.07 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.39 0.00 111 F 9.18 5.38 0.00 2.75 2.92 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 0.00 0.00 0.00 112 Q 9.10 4.43 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.30 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 113 N 9.96 4.29 0.00 2.89 2.91 0.00 0.00 7.24 7.65 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 0.00 114 G 8.67 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.91 4.85 0.00 2.02 1.92 0.00 3.15 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 116 L 9.03 4.15 0.00 1.51 1.42 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.67 4.41 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 1.24 0.00 0.00 118 N 7.51 5.39 0.00 2.67 2.53 0.00 0.00 6.60 6.66 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 0.00 119 L 8.85 5.06 0.00 1.45 1.12 0.68 -0.46 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 0.00 120 R 8.90 4.83 0.00 1.71 1.79 0.00 3.36 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 121 M 8.70 5.16 0.00 1.75 1.61 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 122 V 8.79 4.81 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 0.81 0.00 0.00 0.99 0.00 0.00 123 L 8.18 5.07 0.00 1.69 1.46 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.57 4.65 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 4.06 4.37 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 1.24 0.00 0.00 126 F 8.23 4.10 0.00 3.18 3.11 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 0.00 127 D 8.39 4.37 0.00 3.08 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 0.00 128 L 8.00 3.96 0.00 1.94 1.91 0.93 0.65 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 0.00 129 V 8.00 3.71 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 0.89 0.00 0.00 1.09 0.00 0.00 130 E 8.23 3.79 0.00 2.01 1.87 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 1.74 1.53 0.00 131 Q 8.06 4.03 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 132 A 8.12 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.16 4.23 0.00 1.68 1.68 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 134 G 9.21 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 0.00 0.00 0.00 135 R 7.37 4.17 0.00 1.72 1.76 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00