NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 E 4.3626 8.4293 116.7585 56.0730 32.3934 176.3122 21 T 4.1230 7.5162 108.8112 60.6986 69.8998 173.7637 22 T 4.0887 8.7613 116.8841 65.4696 69.8217 177.2718 *24 G 3.9127 8.1075 112.3729 45.6800 0.0000 175.7117 25 R 3.9191 8.3570 120.2084 59.1379 30.0493 177.7656 26 Y 4.2868 8.1211 119.3034 60.8336 38.7854 178.4234 27 K 3.6509 8.0917 118.6426 59.4442 32.2824 179.3233 28 K 3.9706 8.2409 118.7998 59.4187 31.8244 179.5959 29 V 3.6495 8.1355 118.8616 65.8979 31.4602 178.2178 30 I 3.5949 7.5447 119.5043 64.3794 36.7333 177.9305 31 E 3.9088 7.7585 117.9599 59.8285 29.4124 179.4626 32 I 3.9078 7.6301 118.3161 63.5709 37.6490 177.5812 33 T 3.9875 7.9666 108.3498 61.1903 69.1403 176.3322 34 G 3.6722 8.3803 109.8542 48.3175 0.0000 174.6763 35 H 4.1884 8.2018 115.0895 57.4500 28.9012 175.1303 36 D 4.6134 7.7505 120.5072 52.9283 41.5144 176.1319 37 E 3.9415 8.7444 128.8424 59.2812 29.7306 178.7314 38 V 3.4489 7.8744 117.7073 65.6597 31.5798 177.6708 39 A 3.9880 8.5002 120.3326 55.2240 18.2990 179.1722 40 A 3.9646 8.3241 119.6119 55.5478 18.4010 180.0750 41 K 3.9210 8.2767 116.8227 59.6686 32.1644 179.7150 42 L 4.0837 8.0448 119.2849 57.5963 41.4211 179.3420 43 L 3.3926 8.3427 120.8629 57.7772 41.8667 178.7755 44 E 4.0253 8.4473 118.9655 59.1647 29.2758 179.4590 45 G 3.6390 8.0857 105.8013 47.7550 0.0000 175.4100 46 L 3.9881 7.9152 123.0819 57.8793 42.0497 179.1185 47 I 3.6138 7.9811 120.0188 64.2675 36.9519 177.8331 48 D 4.2800 8.4479 118.9942 57.4412 41.1145 178.1562 49 A 4.1305 8.3510 121.5442 55.0767 18.2714 179.8443 50 G 3.6189 8.3752 104.5758 48.2536 0.0000 176.0817 51 T 3.9133 8.1458 112.8511 64.5015 68.7187 176.8054 52 R 3.9445 8.3603 121.1192 59.0530 30.0087 178.4046 53 Y 4.0398 8.2702 119.3487 60.6069 38.8538 177.7206 54 F 3.9753 8.5666 121.6724 61.4507 39.5083 177.1724 55 S 4.0996 8.5016 114.9716 61.4274 62.4195 176.6447 56 K 3.8209 7.7879 120.9253 59.4462 32.0450 178.5447 57 V 3.4764 7.1930 117.1578 65.9299 31.5617 177.7337 58 V 3.5808 7.4428 117.7752 65.8787 31.2500 178.4325 59 E 4.2888 7.9265 115.6954 57.0511 28.8995 178.6229 *61 E 4.1983 8.1220 120.7271 56.7361 31.7580 176.9750 62 H 4.2140 8.4868 118.6444 59.2473 30.1564 177.9275 63 R 3.9207 8.0928 116.3826 57.0043 29.2273 177.6702 *65 A 4.2329 8.1505 121.2006 51.6900 20.5356 180.0751 66 S 4.0633 8.3198 111.1510 61.6862 63.0865 176.6461 67 A 4.0363 8.4859 125.0547 54.2137 17.8424 179.5571 68 R 3.9062 7.2420 113.8313 58.8685 29.3217 178.1099 69 F 4.6920 7.6166 116.3256 57.8381 39.4956 176.2195 70 R 4.6065 8.2957 116.3777 55.5889 31.9868 175.8074 71 L 4.9214 7.5999 116.6219 52.2662 44.9615 176.3224 72 D 4.7865 9.0977 122.3389 52.6269 41.8456 177.8292 73 G 3.6973 8.5519 106.4451 47.7534 0.0000 175.7432 74 E 3.9710 8.1384 119.3325 59.4816 29.8034 178.9785 75 E 3.9514 8.8018 120.3690 58.8299 29.4174 179.1544 76 L 3.9164 8.3411 120.8823 58.0569 42.1031 179.0119 77 R 3.8445 8.1290 118.8226 59.2006 29.9778 178.1791 78 E 3.8827 8.2375 119.2896 58.9861 29.5767 178.2644 79 L 3.9046 8.0120 120.4716 58.7161 42.0954 178.9306 80 T 3.8215 8.0811 115.6447 66.8603 68.4230 176.1372 81 E 3.9229 8.3830 121.0166 59.4121 29.6303 179.0511 82 T 3.8569 8.0674 115.8807 66.7044 68.4927 176.7392 83 L 4.0274 8.2070 121.1968 57.8188 41.5472 179.3780 84 D 4.3386 8.3362 119.0795 57.2568 40.7942 178.9765 85 R 3.9277 8.0287 118.5984 59.5220 30.1157 179.3324 86 S 4.1751 8.1577 114.8642 61.4760 62.6882 176.8360 87 R 3.9383 8.2127 121.7049 59.4392 29.7748 178.6228 88 R 3.9784 8.4215 118.3802 59.4289 30.1507 178.8443 89 L 3.9783 8.0247 119.6546 57.9733 42.0545 178.8552 90 A 4.1364 8.2057 121.0198 55.2223 18.2686 179.0715 91 H 3.7023 8.8969 117.3474 59.3434 29.9585 177.2733 92 E 3.9395 8.5301 120.6786 59.5289 29.4121 179.3245 93 S 4.0974 7.9617 112.6015 61.1195 62.4636 175.9137 94 L 3.8944 7.9739 123.0039 58.2219 41.7651 178.7051 95 I 3.5483 7.6256 119.8235 64.6693 37.0220 178.1149 96 S 4.0964 8.0791 113.5097 61.7411 62.2815 176.5011 97 S 4.1720 8.0575 117.4465 61.2959 62.4716 176.4981 98 L 4.0725 8.0814 123.1618 58.3662 41.8096 178.4507 99 H 4.0873 8.4816 118.5369 59.3738 29.8556 177.3472 100 V 3.5586 8.0577 120.1808 65.8264 31.3470 177.8409 101 F 4.2733 8.2002 119.9853 61.4376 39.3436 176.7983 102 N 4.0424 8.6356 117.4102 56.4574 38.7699 176.9920 103 R 3.8085 8.1604 117.9372 59.2110 29.3338 178.2786 104 Y 3.8967 7.5413 119.0589 60.5145 38.8156 178.1880 105 I 3.8085 7.4530 113.9259 63.8654 37.4942 178.3455 106 V 3.5719 7.6541 119.5343 65.4665 31.3825 177.7251 107 K 3.9540 7.7380 118.6615 59.3588 32.1959 178.2623 108 E 3.9030 7.7313 116.9322 57.5177 29.7196 176.7209 109 Y 5.1390 7.5606 115.7981 55.6081 40.0080 177.3805 110 G 3.7681 8.4471 109.6178 48.2163 0.0000 175.5618 111 E 3.9802 8.0482 120.9393 58.7840 29.7107 178.2101 112 E 3.9705 8.2408 118.1929 59.4458 29.4703 179.1883 113 L 4.0429 8.5841 121.6408 58.3654 41.7251 179.9710 114 K 3.8695 8.1476 123.6887 60.2337 31.3774 180.2431 115 E 4.1176 8.6952 119.2911 58.7943 29.5866 177.5296 116 A 4.1531 7.9878 119.3722 52.4228 18.9797 177.9734 117 G 3.9418 8.5055 104.2756 45.5000 0.0000 174.5614 118 I 4.7053 7.9080 111.1883 58.9252 37.2218 176.1054 119 E 3.9325 8.2282 119.9541 60.0254 29.9921 179.0814 120 G 3.7465 7.9659 105.7482 46.1238 0.0000 174.2285 121 G 4.0026 8.0679 105.9327 44.7947 0.0000 174.9842 122 I 4.1208 9.5753 122.0309 62.2233 38.4853 175.8275 123 F 4.4120 7.7671 121.2124 55.1796 41.5008 172.7992 124 P 4.1194 0.0000 0.0000 63.3237 31.6125 177.1471 125 K 4.1682 8.4631 123.3582 53.8712 32.2706 173.4374 126 P 4.5557 0.0000 0.0000 62.6222 31.9280 175.6854 127 E 4.5978 8.3264 120.0404 54.4930 32.3705 175.5562 128 A 4.1483 8.7975 130.5848 54.8270 18.8347 178.8106 129 N 4.4567 8.0601 115.3529 54.5652 38.1851 181.7934 130 R 4.7059 7.3294 114.9353 53.4109 32.9446 176.6930 131 D 4.7030 8.3441 115.5630 55.6002 41.7948 174.5096 132 R 4.7365 7.9469 117.0173 53.6063 32.6814 174.5998 133 I 3.7181 8.2519 118.2617 60.9538 38.5577 175.9994 134 A 4.3288 8.6195 129.0413 51.9691 20.1460 178.4276 135 I 4.0206 8.6374 124.1846 64.8296 37.2947 178.8315 136 A 4.1483 8.1772 120.9063 55.2005 18.2305 179.3514 137 D 4.3746 8.2348 117.0825 57.2048 40.9854 178.3736 138 W 4.2041 8.9064 129.1379 60.6213 30.7028 177.8154 139 A 3.3143 8.7258 120.9877 54.8074 17.7487 179.7567 140 G 3.6728 8.1338 104.2050 48.0063 0.0000 175.6953 141 E 3.8817 8.2232 121.2199 58.9240 29.5190 179.2648 142 L 3.5688 7.5428 120.4473 58.0652 41.9974 179.0802 143 L 3.7284 7.8263 119.2731 57.8277 41.4093 179.5180 144 T 3.8211 7.8745 115.9689 66.4901 68.5059 176.8456 145 G 3.5402 7.9858 107.4722 47.8901 0.0000 175.7873 146 I 3.6833 7.3491 121.2907 64.0308 37.4590 177.6093 147 Y 4.0633 8.1308 120.4940 60.8846 38.4591 178.1378 148 E 4.0585 8.4154 118.1961 58.6577 29.5085 177.9773 149 N 4.8115 7.5026 114.5184 51.9848 39.1015 175.4341 150 R 4.0466 6.8478 117.3076 55.7993 30.1760 175.8195 151 H 4.2779 8.4438 119.2338 56.1803 30.4710 175.4561 152 R 4.0329 8.2045 124.4392 56.4792 30.0098 176.2547 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 20 E 8.43 4.36 0.00 2.01 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 2.13 1.88 0.00 21 T 7.52 4.12 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 1.23 0.00 0.00 22 T 8.76 4.09 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 1.05 0.00 0.00 *24 G 8.11 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 0.00 0.00 0.00 25 R 8.36 3.92 0.00 2.05 2.27 0.00 3.34 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 26 Y 8.12 4.29 0.00 3.16 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 27 K 8.09 3.65 0.00 2.11 1.80 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.10 7.81 28 K 8.24 3.97 0.00 1.96 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.58 7.81 29 V 8.14 3.65 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 1.41 0.00 0.00 1.15 0.00 0.00 30 I 7.54 3.59 1.76 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.08 0.79 0.00 0.00 31 E 7.76 3.91 0.00 2.35 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 2.35 2.25 0.00 32 I 7.63 3.91 1.79 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 1.57 0.55 0.79 0.00 0.00 33 T 7.97 3.99 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 0.90 0.00 0.00 34 G 8.38 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 35 H 8.20 4.19 0.00 3.31 3.47 0.00 5.52 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.75 4.61 0.00 2.70 2.77 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 37 E 8.74 3.94 0.00 2.18 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 2.38 1.94 0.00 38 V 7.87 3.45 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 0.44 0.00 0.00 0.90 0.00 0.00 39 A 8.50 3.99 1.58 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 40 A 8.32 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 41 K 8.28 3.92 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.58 7.81 42 L 8.04 4.08 0.00 2.13 1.95 0.71 0.35 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 43 L 8.34 3.39 0.00 1.30 1.66 0.39 0.88 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 44 E 8.45 4.03 0.00 2.20 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 2.32 2.41 0.00 45 G 8.09 3.64 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 0.00 0.00 0.00 46 L 7.92 3.99 0.00 1.80 1.72 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.98 3.61 1.95 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.85 0.00 0.00 48 D 8.45 4.28 0.00 2.82 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 49 A 8.35 4.13 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 50 G 8.38 3.62 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 0.00 0.00 0.00 51 T 8.15 3.91 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 1.18 0.00 0.00 52 R 8.36 3.94 0.00 2.16 2.09 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 53 Y 8.27 4.04 0.00 3.23 3.23 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 54 F 8.57 3.98 0.00 3.18 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 55 S 8.50 4.10 0.00 4.10 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 56 K 7.79 3.82 0.00 2.03 1.93 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.32 7.81 57 V 7.19 3.48 1.65 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 0.64 0.00 0.00 0.29 0.00 0.00 58 V 7.44 3.58 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.30 0.00 0.00 59 E 7.93 4.29 0.00 2.14 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 2.29 2.46 0.00 *61 E 8.12 4.20 0.00 2.07 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 0.00 2.25 2.15 0.00 62 H 8.49 4.21 0.00 3.18 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.09 3.92 0.00 1.98 1.83 0.00 3.20 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 *65 A 8.15 4.23 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 66 S 8.32 4.06 0.00 4.05 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 67 A 8.49 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.24 3.91 0.00 1.66 1.88 0.00 2.65 0.00 0.00 2.89 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 69 F 7.62 4.69 0.00 3.01 3.05 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 70 R 8.30 4.61 0.00 1.75 1.96 0.00 3.30 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 71 L 7.60 4.92 0.00 1.56 1.52 0.90 1.05 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 72 D 9.10 4.79 0.00 2.92 2.80 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 0.00 0.00 0.00 73 G 8.55 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.14 3.97 0.00 2.29 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 2.36 1.97 0.00 75 E 8.80 3.95 0.00 2.18 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 2.32 2.42 0.00 76 L 8.34 3.92 0.00 1.77 1.76 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.13 3.84 0.00 2.04 1.89 0.00 3.14 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 78 E 8.24 3.88 0.00 2.33 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 2.30 2.18 0.00 79 L 8.01 3.90 0.00 1.85 1.81 0.90 0.68 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 80 T 8.08 3.82 4.39 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 1.21 0.00 0.00 81 E 8.38 3.92 0.00 2.17 2.10 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 2.30 2.39 0.00 82 T 8.07 3.86 4.40 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 1.20 0.00 0.00 83 L 8.21 4.03 0.00 1.78 1.68 0.88 1.18 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 84 D 8.34 4.34 0.00 2.68 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 85 R 8.03 3.93 0.00 2.01 1.98 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 86 S 8.16 4.18 0.00 4.03 3.92 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 87 R 8.21 3.94 0.00 1.95 2.12 0.00 3.04 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 1.76 1.70 0.00 88 R 8.42 3.98 0.00 2.03 2.00 0.00 3.18 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 1.66 1.88 0.00 89 L 8.02 3.98 0.00 1.92 1.85 0.99 1.29 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 90 A 8.21 4.14 1.58 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 91 H 8.90 3.70 0.00 3.43 3.52 0.00 5.60 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 92 E 8.53 3.94 0.00 2.25 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 2.36 2.66 0.00 93 S 7.96 4.10 0.00 4.09 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 94 L 7.97 3.89 0.00 1.62 1.53 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.63 3.55 1.96 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 1.23 0.40 0.82 0.00 0.00 96 S 8.08 4.10 0.00 3.90 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 97 S 8.06 4.17 0.00 4.13 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 98 L 8.08 4.07 0.00 1.81 1.76 0.76 0.02 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 H 8.48 4.09 0.00 3.20 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.06 3.56 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 0.98 0.00 0.00 1.01 0.00 0.00 101 F 8.20 4.27 0.00 3.31 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.64 4.04 0.00 3.06 2.75 0.00 0.00 7.06 7.19 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 0.00 103 R 8.16 3.81 0.00 1.95 1.97 0.00 2.72 0.00 0.00 2.88 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 104 Y 7.54 3.90 0.00 3.13 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 0.00 105 I 7.45 3.81 1.85 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 0.91 0.95 0.73 0.00 0.00 106 V 7.65 3.57 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 0.77 0.00 0.00 0.91 0.00 0.00 107 K 7.74 3.95 0.00 1.78 1.73 0.00 1.75 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.37 7.81 108 E 7.73 3.90 0.00 1.24 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 1.57 1.47 0.00 109 Y 7.56 5.14 0.00 3.03 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 0.00 110 G 8.45 3.77 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 0.00 0.00 0.00 111 E 8.05 3.98 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 112 E 8.24 3.97 0.00 2.36 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 2.52 2.54 0.00 113 L 8.58 4.04 0.00 1.85 1.94 0.97 1.16 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 0.00 114 K 8.15 3.87 0.00 1.75 1.84 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.34 7.81 115 E 8.70 4.12 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 116 A 7.99 4.15 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 0.00 117 G 8.51 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 0.00 118 I 7.91 4.71 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.94 0.00 0.00 119 E 8.23 3.93 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 120 G 7.97 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 0.00 0.00 0.00 121 G 8.07 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 0.00 122 I 9.58 4.12 2.36 0.00 0.00 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 1.68 1.20 1.30 0.00 0.00 123 F 7.77 4.41 0.00 2.50 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 0.00 124 P 0.00 4.12 0.00 1.79 1.87 0.00 2.20 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 125 K 8.46 4.17 0.00 1.77 1.60 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.04 7.81 126 P 0.00 4.56 0.00 2.04 2.03 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 127 E 8.33 4.60 0.00 1.87 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 0.00 2.25 2.28 0.00 128 A 8.80 4.15 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 0.00 129 N 8.06 4.46 0.00 2.76 2.70 0.00 0.00 6.39 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 0.00 130 R 7.33 4.71 0.00 1.79 1.73 0.00 3.24 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 0.00 131 D 8.34 4.70 0.00 2.63 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 0.00 132 R 7.95 4.74 0.00 1.90 1.87 0.00 3.40 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 133 I 8.25 3.72 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 0.67 0.00 0.00 134 A 8.62 4.33 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 0.00 135 I 8.64 4.02 1.86 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.51 0.86 0.00 0.00 136 A 8.18 4.15 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 0.00 137 D 8.23 4.37 0.00 3.04 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 0.00 138 W 8.91 4.20 0.00 3.45 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 0.00 139 A 8.73 3.31 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 0.00 140 G 8.13 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 0.00 141 E 8.22 3.88 0.00 2.17 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 2.33 0.00 142 L 7.54 3.57 0.00 0.89 1.01 0.17 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.83 3.73 0.00 1.23 1.27 0.77 0.40 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 0.00 144 T 7.87 3.82 4.19 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 1.24 0.00 0.00 145 G 7.99 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 0.00 146 I 7.35 3.68 1.85 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.41 0.87 0.00 0.00 147 Y 8.13 4.06 0.00 3.01 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 0.00 148 E 8.42 4.06 0.00 2.02 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 2.43 2.60 0.00 149 N 7.50 4.81 0.00 2.80 2.81 0.00 0.00 7.03 6.97 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 0.00 150 R 6.85 4.05 0.00 1.81 1.78 0.00 2.69 0.00 0.00 2.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.37 0.00 151 H 8.44 4.28 0.00 3.06 3.24 0.00 5.92 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 8.20 4.03 0.00 1.71 1.72 0.00 3.34 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 * Residues marked with a * may have inaccurate shift predictions.