NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 E 4.2854 8.4444 121.4762 56.0870 30.8845 175.0062 -5 N 4.6252 8.9742 125.6341 51.5571 38.4763 173.8881 -4 L 4.2177 8.5697 127.1175 57.1877 43.4194 178.6475 -3 Y 4.2908 8.0751 119.9547 59.6271 38.4623 177.9890 -2 F 4.7841 8.1787 116.5480 57.9661 40.1242 176.8620 -1 Q 5.0418 7.7943 116.3184 54.4246 29.9244 176.7767 0 G 3.7635 7.6663 107.5079 45.0811 0.0000 172.4496 -4 K 4.1977 8.6997 125.7175 58.2877 34.1194 177.6475 -3 K 4.0608 8.2451 120.0547 57.9271 33.7623 178.6890 -2 V 4.2841 7.9087 115.4480 62.4661 33.4242 177.3620 -1 F 5.3218 7.7743 116.8184 56.4246 40.1244 176.5768 0 I 3.9735 7.3363 118.6079 61.0811 39.2411 173.9496 7 T 4.7439 8.9412 124.7054 61.8766 70.9544 173.8207 8 T 4.6049 8.6161 116.4910 59.9621 71.3061 174.1579 9 G 4.0422 7.6196 108.4564 46.6511 0.0000 172.3395 10 T 4.2984 7.7892 109.3556 60.9939 69.7630 174.9697 11 E 3.9538 8.8992 123.0600 59.8032 29.5322 178.7210 12 H 4.1896 8.2142 117.7080 59.3887 30.0099 176.4047 13 Y 4.0746 8.0988 121.3170 60.9078 38.4581 178.1870 14 L 4.0650 8.1333 118.5263 57.6582 41.7612 179.3796 15 R 4.0793 8.1160 117.8895 59.0961 30.2813 178.7163 16 Q 4.2425 7.9454 118.0080 58.6371 28.6421 179.6633 17 L 4.1608 7.6885 119.6946 55.5444 41.8795 178.4464 *19 E 4.2837 8.1301 118.1114 56.0050 31.2714 177.2340 20 N 4.4141 7.9583 114.1225 55.2180 38.7521 175.1907 21 Y 4.6281 7.4048 115.5753 56.9327 38.7913 175.7909 22 I 3.6241 7.8110 119.3607 62.6679 38.4800 175.7737 23 G 3.9412 9.0118 114.1265 45.8733 0.0000 173.3621 24 E 4.6652 7.6662 118.3763 54.6213 29.8685 175.9534 25 N 4.7231 7.6334 123.1626 52.1229 38.1290 172.3776 26 V 4.9114 8.1624 118.6869 61.0023 34.8495 174.9280 27 T 4.7431 9.2267 124.1735 61.6951 71.9523 172.5393 28 L 4.9674 8.6305 128.3483 54.0284 43.4852 175.4453 29 L 5.0212 8.9166 125.0233 53.3082 46.3497 175.3947 30 Q 5.3145 9.2760 119.1670 54.9363 33.5443 174.4571 31 N 4.6255 9.2015 120.7332 52.2559 40.1055 175.2367 *32 F 4.1520 8.7282 114.7635 60.1283 38.2557 172.2997 33 S 4.4858 8.1018 115.8526 60.5460 63.4320 174.1194 34 Q 4.6125 7.8906 117.5262 55.0387 32.1284 172.7720 35 S 5.4240 8.1722 116.6913 57.0859 66.4832 172.9389 36 L 4.8193 8.6403 122.3289 53.8671 45.8866 174.1335 37 L 5.1619 9.2959 125.8867 53.1823 44.3384 174.5932 38 Y 5.4091 9.2190 125.1536 55.8919 41.3889 174.0596 39 Q 5.4940 8.0713 126.3077 53.4162 32.4344 173.5221 40 E 5.3813 8.9685 125.0492 55.0312 31.5111 175.1313 41 S 4.6575 8.4052 116.9290 58.0058 66.3795 173.1499 42 T 4.4607 8.5972 116.4490 61.7755 70.2533 173.3248 43 G 3.9152 8.4681 111.7138 44.6497 0.0000 172.6587 44 E 4.8406 8.3732 123.2098 53.8849 33.0838 175.8621 45 K 3.7181 8.4925 120.9155 58.2510 33.5352 179.2382 46 L 3.4001 7.3050 116.1995 56.0889 40.8291 175.4784 47 F 4.7159 8.1533 122.0857 57.5148 38.1916 175.7850 48 Q 3.9446 7.0787 120.7404 56.0648 28.9330 175.9038 49 E 4.2145 8.1209 119.6511 56.2033 30.6265 176.3194 50 G 3.9629 8.6169 105.6201 45.7263 0.0000 172.4931 51 K 4.5131 8.2351 117.3690 54.9165 33.5920 176.0791 52 E 4.7000 8.3449 124.7437 54.6819 31.4034 174.4966 53 Y 4.6908 7.8496 122.9808 56.0335 41.7712 174.7712 54 R 4.2420 8.6887 124.9201 55.5905 31.6176 175.3841 55 V 3.9494 8.2874 126.8839 63.0828 31.5373 175.1927 56 L 4.4881 9.0895 128.6812 56.6459 42.7429 177.3965 57 Q 4.7284 7.7753 115.8465 54.4545 33.3069 174.0241 58 S 5.2193 8.7298 116.5800 56.8115 66.1042 172.8722 59 S 4.5570 8.8470 118.3808 57.9814 66.7092 175.7587 60 G 4.1372 9.3545 109.2779 45.3114 0.0000 172.7588 61 S 4.4811 7.9010 111.4778 56.4216 65.7556 173.7881 62 L 3.6514 8.0516 122.9184 54.9210 41.7186 177.3855 63 K 4.0869 8.4165 122.4233 56.4602 32.7086 177.6893 64 G 3.8383 9.6575 106.5654 45.0142 0.0000 172.6856 65 F 4.0046 6.7599 111.6909 55.5775 41.5858 173.7884 66 G 4.2660 8.9470 105.4925 44.2764 0.0000 173.3332 67 I 5.2126 9.3009 117.1210 59.0243 41.6282 174.8391 68 V 4.3877 8.8992 122.4881 61.0092 34.7052 174.1280 69 V 4.6432 8.2658 127.7881 61.0016 34.1641 174.0998 70 F 4.7869 9.5010 126.8891 55.9276 41.3438 174.4961 71 E 4.9763 9.0622 125.6368 55.0300 31.3411 174.7944 72 Y 5.1490 9.2095 124.3657 56.5146 39.8283 175.3223 73 I 5.1256 9.0442 116.9710 59.3940 41.9261 173.8184 74 Q 5.1927 8.7487 121.5133 54.2682 30.8856 174.9384 75 L 4.7050 8.5802 123.9677 52.8254 43.9879 177.0284 76 R 4.2245 8.8830 121.7990 55.8049 31.2391 177.3538 77 D 4.4559 9.0038 121.0488 58.1385 40.5947 179.4858 78 E 4.0225 8.1687 116.6196 59.2906 29.6958 178.6070 79 E 4.2355 8.1922 117.8347 58.0899 29.5469 179.1234 80 I 3.6011 7.6513 120.6419 63.9417 37.2270 176.3972 81 P 4.2057 0.0000 0.0000 65.6142 30.9379 178.7534 82 I 3.6956 7.6316 117.0665 64.3439 37.2043 177.8178 83 F 4.1412 8.3442 120.5658 61.2419 39.5529 176.8211 84 L 4.2336 8.3137 118.9562 57.7034 41.3125 179.4351 85 Q 3.8738 7.8486 115.9322 57.1246 28.5492 176.8650 *87 Y 4.2667 7.7957 121.3421 57.1343 40.5873 176.8637 88 Q 4.1397 8.1058 120.4826 58.9475 29.2388 177.5988 89 H 4.2874 8.1878 117.0321 58.9059 28.7365 177.5582 90 A 3.9280 7.8495 122.2200 55.1307 18.2914 179.5314 91 S 2.0000 7.5011 112.2034 59.9428 62.7505 176.3770 92 L 3.9463 7.1451 121.9922 56.8149 41.5264 177.7451 93 H 4.8271 7.7267 114.7950 55.3956 29.3759 175.8765 94 F 4.6608 7.9297 123.2787 60.1354 38.5011 177.5220 95 S 4.2637 8.1518 112.2025 60.5925 62.9488 175.1422 96 E 4.5816 7.8175 120.2149 55.5883 29.8886 175.8974 97 T 4.3962 7.5643 118.2443 61.8118 68.8342 172.6224 98 P 4.2224 0.0000 0.0000 63.9226 31.9556 177.2188 99 G 3.2811 8.5397 110.1397 44.7180 0.0000 172.3899 100 L 3.8039 7.3041 121.8541 54.0064 42.4137 176.0882 101 Q 4.0284 8.8147 126.3399 58.3630 29.8400 175.9887 102 S 4.8165 7.0888 110.7525 57.5474 65.9112 173.4686 103 T 5.0485 8.5563 113.8561 59.9246 72.6103 172.8818 104 K 5.0082 9.2178 122.3685 54.8071 36.2286 174.8627 105 L 4.8193 9.0526 128.7088 53.9611 43.4501 175.4269 106 T 5.1505 8.8343 115.5712 59.8616 72.9701 172.5401 107 K 4.3650 8.6684 123.0157 54.8362 35.3404 174.9755 108 A 3.8177 9.2665 128.9126 53.5761 17.1928 178.7278 *110 N 4.6839 9.3088 115.5689 53.0251 40.5169 173.2399 111 T 4.6379 7.2827 107.7260 60.2182 72.1500 172.9951 112 N 4.8996 8.3740 115.3803 53.3285 40.0430 174.3632 113 Q 4.8588 7.8501 122.2925 55.6146 30.2579 174.8308 114 F 5.0999 9.5608 125.5724 55.7907 42.4724 174.6141 115 L 4.8428 8.8861 122.8091 53.5446 45.2429 174.9764 116 I 4.8741 8.7095 127.9717 59.7572 39.3747 174.6873 117 V 4.3950 8.6307 128.2984 60.8525 33.6642 174.5999 118 S 4.7360 8.2227 121.5958 56.3504 66.6025 172.6406 119 F 4.8665 8.4247 121.4530 55.4161 41.3254 174.5471 120 W 5.2200 8.9918 123.1268 54.7235 32.5663 176.2561 121 D 4.5985 9.3489 123.9380 57.6438 41.1437 176.6195 122 S 4.7309 8.2504 110.1810 56.1594 65.6326 175.2681 123 E 4.0335 8.7568 120.9917 59.0826 29.2509 178.6632 124 V 3.4623 7.4041 117.4866 66.1255 31.4317 178.0690 125 F 4.2280 7.7194 116.7777 60.3550 38.8056 177.4927 126 F 2.5063 7.7816 119.7748 60.8726 38.9249 177.0003 127 Q 3.5169 7.9953 116.7807 58.8032 28.7522 178.3781 128 E 4.0073 8.0543 119.5683 59.1667 29.4586 179.2445 129 W 4.2737 7.9402 128.0802 60.0563 30.4674 177.9825 130 K 3.1971 7.0866 117.1846 58.6899 31.4092 178.5495 131 K 4.0701 7.6744 117.3359 57.0447 32.5012 177.2613 132 T 4.2522 6.9367 110.7016 59.9996 70.2097 174.0284 133 P 4.1725 0.0000 0.0000 65.6456 31.1991 178.7369 134 L 3.9457 7.7626 118.6218 58.4772 42.0489 178.3503 135 H 3.6846 7.3166 117.7440 58.8633 29.5339 177.0352 136 K 3.8050 7.9329 121.4206 59.5951 31.9707 178.6890 137 E 4.0030 8.3616 118.8650 59.2839 29.1815 179.1956 138 I 3.8545 7.8424 119.1566 64.8968 37.3035 178.2833 139 T 4.0066 7.8037 115.3401 66.4506 68.5090 176.2233 140 S 4.3219 8.2534 115.2574 61.4940 62.3134 178.0919 141 I 3.9998 7.7643 121.1061 61.2597 36.5065 178.1546 *143 K 4.2007 8.0236 122.1125 56.4335 33.7409 177.6768 144 K 4.0432 8.5083 118.7496 59.0258 32.1119 177.0233 145 N 4.6712 8.2260 113.4635 52.6737 38.9051 174.1993 146 N 4.6002 7.8935 116.3291 53.7715 37.6020 174.1769 147 T 4.2865 9.1119 115.9465 61.6201 68.9499 175.3445 148 Q 3.8418 8.7305 119.2205 57.6282 26.5155 174.2506 149 V 4.2032 7.6513 108.4049 61.1337 32.3032 176.6935 150 G 3.7183 8.4666 106.8799 45.5506 0.0000 174.5615 151 F 4.7318 7.7868 116.2550 57.7675 39.5409 175.5515 152 S 5.6971 7.8436 117.5231 56.4241 65.9533 172.6523 153 H 4.6775 8.3501 118.0783 55.0684 31.2066 172.5303 154 E 5.3101 9.1747 120.5335 54.8148 31.7042 174.4848 155 D 5.1860 9.5231 127.4136 52.5924 44.0207 175.2474 156 I 5.0567 8.3136 123.0016 59.8395 39.6945 174.4901 157 Y 4.9758 9.3378 123.5113 56.4180 42.5196 173.8638 158 H 5.6317 8.9970 116.4435 53.7583 32.4529 172.5101 159 Y 4.5644 8.4909 115.5416 57.1680 38.4818 174.5749 160 P 4.4477 0.0000 0.0000 62.5656 32.1914 176.7682 161 E 4.0129 8.9632 117.9148 56.1149 29.6528 176.1421 162 F 4.1516 9.1471 129.7085 58.1641 40.0505 175.7376 163 S 4.3442 7.7140 122.8891 58.1112 62.6127 170.8916 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 -6 E 8.44 4.29 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.56 0.00 -5 N 8.97 4.63 0.00 2.91 3.00 0.00 0.00 6.87 5.79 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 L 8.57 4.22 0.00 1.80 1.73 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.08 4.29 0.00 2.79 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 -2 F 8.18 4.78 0.00 3.35 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 7.79 5.04 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 0 G 7.67 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 0.00 0.00 0.00 -4 K 8.70 4.20 0.00 2.02 1.86 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.42 7.81 -3 K 8.25 4.06 0.00 1.60 1.60 0.00 0.61 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.53 7.81 -2 V 7.91 4.28 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 1.33 0.00 0.00 0.93 0.00 0.00 -1 F 7.77 5.32 0.00 3.26 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 0 I 7.34 3.97 1.87 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 1.30 0.62 0.91 0.00 0.00 7 T 8.94 4.74 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 1.30 0.00 0.00 8 T 8.62 4.60 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 1.16 0.00 0.00 9 G 7.62 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 0.00 0.00 0.00 10 T 7.79 4.30 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 11 E 8.90 3.95 0.00 2.11 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 2.43 2.42 0.00 12 H 8.21 4.19 0.00 3.32 3.37 0.00 5.93 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 13 Y 8.10 4.07 0.00 3.17 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 14 L 8.13 4.06 0.00 1.73 1.77 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.12 4.08 0.00 1.95 1.99 0.00 3.20 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 16 Q 7.95 4.24 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.09 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 17 L 7.69 4.16 0.00 1.55 1.75 1.12 1.32 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 *19 E 8.13 4.28 0.00 2.17 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 2.19 2.50 0.00 20 N 7.96 4.41 0.00 2.83 2.57 0.00 0.00 6.87 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 21 Y 7.40 4.63 0.00 2.92 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 22 I 7.81 3.62 2.00 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 1.36 0.76 0.90 0.00 0.00 23 G 9.01 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 24 E 7.67 4.67 0.00 2.21 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 2.32 0.00 25 N 7.63 4.72 0.00 2.77 2.87 0.00 0.00 6.44 7.71 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 26 V 8.16 4.91 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 0.87 0.00 0.00 0.94 0.00 0.00 27 T 9.23 4.74 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 28 L 8.63 4.97 0.00 1.66 1.58 1.01 0.98 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 29 L 8.92 5.02 0.00 1.35 1.44 0.82 0.19 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 30 Q 9.28 5.31 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.48 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 31 N 9.20 4.63 0.00 2.61 2.51 0.00 0.00 7.25 7.70 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 *32 F 8.73 4.15 0.00 2.32 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 0.00 0.00 0.00 33 S 8.10 4.49 0.00 3.92 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 34 Q 7.89 4.61 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 35 S 8.17 5.42 0.00 4.06 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 36 L 8.64 4.82 0.00 1.34 0.97 -0.27 0.35 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 37 L 9.30 5.16 0.00 1.59 1.56 0.93 0.75 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 38 Y 9.22 5.41 0.00 3.03 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 39 Q 8.07 5.49 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.49 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 40 E 8.97 5.38 0.00 1.96 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 2.14 2.07 0.00 41 S 8.41 4.66 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.60 4.46 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 43 G 8.47 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 0.00 0.00 0.00 44 E 8.37 4.84 0.00 1.92 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 2.21 2.20 0.00 45 K 8.49 3.72 0.00 2.32 1.84 0.00 1.95 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.18 7.81 46 L 7.30 3.40 0.00 1.47 0.70 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.15 4.72 0.00 3.11 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 48 Q 7.08 3.94 0.00 1.58 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 49 E 8.12 4.21 0.00 1.96 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 2.38 2.38 0.00 50 G 8.62 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 0.00 0.00 0.00 51 K 8.24 4.51 0.00 1.84 1.60 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.46 7.81 52 E 8.34 4.70 0.00 2.00 1.64 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 1.88 1.60 0.00 53 Y 7.85 4.69 0.00 2.70 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 54 R 8.69 4.24 0.00 1.71 1.57 0.00 3.00 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 55 V 8.29 3.95 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 0.84 0.00 0.00 0.89 0.00 0.00 56 L 9.09 4.49 0.00 1.64 1.76 1.10 0.68 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 57 Q 7.78 4.73 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 58 S 8.73 5.22 0.00 3.85 3.69 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 59 S 8.85 4.56 0.00 3.98 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 60 G 9.35 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 0.00 0.00 0.00 61 S 7.90 4.48 0.00 3.83 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 62 L 8.05 3.65 0.00 1.39 1.42 -0.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.42 4.09 0.00 1.15 1.79 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.34 7.81 64 G 9.66 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 6.76 4.00 0.00 2.92 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 66 G 8.95 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 0.00 0.00 0.00 0.00 67 I 9.30 5.21 2.05 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.03 1.05 0.00 0.00 68 V 8.90 4.39 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 -0.51 0.00 0.00 0.80 0.00 0.00 69 V 8.27 4.64 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 0.73 0.00 0.00 -0.08 0.00 0.00 70 F 9.50 4.79 0.00 3.06 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 71 E 9.06 4.98 0.00 2.09 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 2.53 2.41 0.00 72 Y 9.21 5.15 0.00 2.96 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 73 I 9.04 5.13 1.85 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.27 0.97 0.00 0.00 74 Q 8.75 5.19 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 75 L 8.58 4.71 0.00 1.40 1.39 -0.51 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.88 4.22 0.00 1.99 1.86 0.00 3.17 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 77 D 9.00 4.46 0.00 2.71 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 78 E 8.17 4.02 0.00 1.94 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 2.33 2.42 0.00 79 E 8.19 4.24 0.00 2.15 1.98 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 2.35 2.38 0.00 89 H 8.19 4.29 0.00 3.15 3.24 0.00 5.68 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 90 A 7.85 3.93 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 91 S 7.50 2.00 0.00 3.45 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 92 L 7.15 3.95 0.00 1.42 1.54 0.88 1.05 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 H 7.73 4.83 0.00 3.26 3.41 0.00 5.63 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 94 F 7.93 4.66 0.00 2.95 2.88 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 95 S 8.15 4.26 0.00 4.02 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 96 E 7.82 4.58 0.00 2.20 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 0.00 2.33 2.37 0.00 97 T 7.56 4.40 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 1.51 0.00 0.00 98 P 0.00 4.22 0.00 2.41 2.19 0.00 3.95 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 99 G 8.54 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 0.00 0.00 0.00 100 L 7.30 3.80 0.00 0.95 1.37 -0.81 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.81 4.03 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.44 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 102 S 7.09 4.82 0.00 3.70 3.29 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 0.00 103 T 8.56 5.05 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 0.36 0.00 0.00 104 K 9.22 5.01 0.00 1.64 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.75 7.81 105 L 9.05 4.82 0.00 1.04 1.33 0.89 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.83 5.15 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 107 K 8.67 4.36 0.00 1.12 1.11 0.00 1.17 0.00 0.00 0.78 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.73 0.21 7.81 108 A 9.27 3.82 1.02 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 0.00 0.00 *110 N 9.31 4.68 0.00 2.69 2.88 0.00 0.00 6.56 7.54 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 0.00 111 T 7.28 4.64 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 1.08 0.00 0.00 112 N 8.37 4.90 0.00 2.77 3.16 0.00 0.00 6.43 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 0.00 113 Q 7.85 4.86 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.73 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 114 F 9.56 5.10 0.00 2.88 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 123 E 8.76 4.03 0.00 2.13 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 2.45 2.52 0.00 124 V 7.40 3.46 1.61 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 0.64 0.00 0.00 0.82 0.00 0.00 125 F 7.72 4.23 0.00 3.50 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 0.00 126 F 7.78 2.51 0.00 1.57 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 0.00 127 Q 8.00 3.52 0.00 1.99 1.98 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 2.59 2.49 0.00 128 E 8.05 4.01 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 129 W 7.94 4.27 0.00 3.41 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 0.00 130 K 7.09 3.20 0.00 1.58 1.50 0.00 0.99 0.00 0.00 1.33 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.56 0.66 7.81 131 K 7.67 4.07 0.00 1.74 1.79 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 132 T 6.94 4.25 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 1.23 0.00 0.00 133 P 0.00 4.17 0.00 2.15 2.11 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 134 L 7.76 3.95 0.00 1.84 1.77 1.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 135 H 7.32 3.68 0.00 1.43 2.61 0.00 5.65 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 0.00 136 K 7.93 3.80 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.58 7.81 137 E 8.36 4.00 0.00 2.12 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 0.00 2.35 2.48 0.00 138 I 7.84 3.85 2.08 0.00 0.00 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 1.92 0.91 1.07 0.00 0.00 139 T 7.80 4.01 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 140 S 8.25 4.32 0.00 3.96 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.76 4.00 2.00 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 1.41 0.69 0.83 0.00 0.00 *143 K 8.02 4.20 0.00 1.93 1.86 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.01 7.81 144 K 8.51 4.04 0.00 2.04 1.88 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.28 7.81 145 N 8.23 4.67 0.00 2.92 2.88 0.00 0.00 6.99 8.65 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 0.00 146 N 7.89 4.60 0.00 2.78 2.81 0.00 0.00 7.18 7.58 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 0.00 147 T 9.11 4.29 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 1.34 0.00 0.00 148 Q 8.73 3.84 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 7.22 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 149 V 7.65 4.20 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 0.76 0.00 0.00 1.15 0.00 0.00 150 G 8.47 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 0.00 151 F 7.79 4.73 0.00 3.30 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 0.00 152 S 7.84 5.70 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.35 4.68 0.00 3.28 3.37 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 9.17 5.31 0.00 2.13 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 2.33 2.48 0.00 155 D 9.52 5.19 0.00 2.98 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.31 5.06 1.83 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.59 0.86 0.00 0.00 157 Y 9.34 4.98 0.00 2.98 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 0.00 158 H 9.00 5.63 0.00 3.35 3.51 0.00 5.46 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 8.49 4.56 0.00 3.09 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.45 0.00 2.12 2.21 0.00 3.91 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 161 E 8.96 4.01 0.00 1.98 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 2.24 1.89 0.00 162 F 9.15 4.15 0.00 3.03 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 0.00 163 S 7.71 4.34 0.00 3.64 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.