NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0254 8.0549 120.3799 62.9711 32.8688 174.5232 3 H 4.8462 8.5737 123.8221 54.8191 31.1363 172.7057 4 D 4.7397 10.6100 121.1350 54.9096 39.8642 174.2975 5 S 3.3726 8.9005 108.0972 59.1654 60.6317 172.4618 6 A 3.8192 8.1273 119.1022 52.9106 16.4941 178.6629 7 L 4.0830 7.6207 118.3630 55.4096 42.3157 175.7821 8 P 4.5968 0.0000 0.0000 61.9276 32.1647 177.1587 9 F 4.1087 8.9190 113.9482 59.3990 37.5338 175.6981 10 D 3.3700 6.0500 117.9841 51.5932 39.1901 176.1192 11 A 4.0503 7.4474 122.6710 52.7857 18.8735 177.8089 12 L 4.9036 8.1358 120.7962 51.9891 44.4402 175.0745 13 P 5.0780 0.0000 0.0000 61.5424 31.8301 173.6722 *15 P 4.5338 0.0000 0.0000 62.1077 32.8320 176.5951 16 P 4.6579 0.0000 0.0000 63.6838 31.6215 177.4431 17 Q 5.1894 8.4007 118.7981 56.3049 28.8148 172.8780 *21 G 3.8269 7.4188 113.0974 46.5993 0.0000 168.8171 22 F 5.1129 8.6069 121.1584 56.4679 41.9501 173.3744 23 E 4.7854 8.9291 128.0767 53.9155 31.8694 175.2780 24 E 4.1047 8.9740 125.3811 56.1526 30.4203 177.0765 25 C 4.2011 8.7019 121.8231 55.7091 43.8931 172.8780 26 P 4.1892 0.0000 0.0000 64.8291 31.0987 176.4801 27 Y 4.8285 7.1879 112.8625 56.1284 38.8457 175.1153 28 L 4.6861 7.3120 118.7795 52.3784 45.6809 176.1048 29 D 4.6283 8.5558 122.4097 53.6209 43.0153 176.8318 30 S 4.2150 8.8237 121.1878 61.8719 62.5567 176.3125 31 Q 4.0448 8.3130 120.1750 58.8510 28.4908 178.7313 32 W 4.0491 8.4527 129.0332 60.2824 30.7370 178.1602 33 V 3.1127 8.0158 118.0279 65.7958 30.7896 177.7629 34 A 4.0086 7.9919 120.4212 55.4063 18.0078 179.4286 35 D 4.1658 7.9500 116.3204 57.5847 40.9288 178.9751 36 T 3.5643 7.4110 115.4949 66.5195 68.4315 176.1286 37 N 4.3335 7.8465 118.0196 56.0756 39.1137 175.6658 38 G 4.0608 7.9195 105.7683 45.1735 0.0000 173.1441 39 Q 4.8665 7.3442 116.9976 53.6072 32.2079 178.1542 40 R 4.4158 8.2015 120.1412 56.2337 29.6316 178.2294 *42 T 4.4928 8.6723 119.5177 64.3752 70.6815 173.3393 43 G 4.5103 7.8470 105.1662 47.2081 0.0000 171.9938 44 Q 5.1536 8.2715 115.3557 55.5025 32.1210 173.4937 45 G 4.5248 8.7211 107.2132 44.9173 0.0000 171.5033 46 V 4.9879 8.2073 111.7292 59.3257 36.0871 174.7801 47 D 5.0736 8.9099 123.0962 52.7322 43.1949 175.9025 48 T 4.5223 8.5041 115.2746 61.8986 69.1479 177.0396 49 R 3.7360 8.3388 123.4442 58.8834 30.2618 176.6407 50 F 4.7591 7.3063 114.2557 56.2953 39.9750 175.1386 51 D 4.5547 9.2835 127.0741 57.7039 40.7715 177.5815 52 T 4.4648 7.7986 115.5455 61.4168 69.1206 173.0700 53 P 4.8457 0.0000 0.0000 62.8729 32.1987 176.3557 54 A 4.5228 8.8920 125.0974 52.0399 20.2594 175.6787 55 C 5.1957 9.5109 117.0239 54.9468 45.2930 173.3971 56 V 4.5496 8.0670 122.8443 60.8278 34.3597 174.0736 57 F 4.9569 8.6924 125.7844 55.4881 41.6655 174.0925 58 W 5.0505 9.3510 123.9802 55.0995 31.7154 175.4480 59 S 5.5287 8.3921 117.8248 57.6576 63.5834 173.7674 60 Y 4.3495 8.5718 114.3549 59.3598 38.2156 174.9296 61 P 4.5436 0.0000 0.0000 61.8326 32.0773 176.0875 62 E 4.1133 8.7637 118.2014 59.1574 29.8405 177.7014 63 A 4.3598 7.8180 121.4747 50.5128 19.3165 175.2722 64 P 4.1680 0.0000 0.0000 62.6490 32.0398 176.7844 65 Q 4.3227 8.6505 119.2227 59.1209 29.9374 175.8430 66 A 5.0765 7.5438 119.2393 51.0412 22.9437 175.3090 67 T 5.0181 9.3115 118.1419 61.8433 72.5054 173.4908 68 V 5.1373 8.9982 125.0652 59.8784 35.8862 174.1655 *70 V 4.2321 8.1318 121.7759 62.8501 32.2600 174.3526 71 R 5.0264 9.1340 127.4682 54.9575 32.2066 175.4791 72 H 4.9645 9.5595 121.4301 53.5672 30.9840 173.3090 *74 P 4.4460 0.0000 0.0000 62.4244 33.1259 176.6714 75 S 4.5887 7.3591 112.7624 56.2305 66.5860 174.7377 76 E 4.1312 8.5805 124.2785 58.9493 29.3983 178.5392 77 E 3.9207 8.1023 118.8421 59.3876 29.7382 178.5314 78 E 4.0256 8.2185 118.0281 59.0563 29.4769 179.1409 79 A 4.0827 8.0036 121.2073 55.1408 18.3339 179.7107 80 I 3.6890 8.0952 118.7085 64.4110 37.0516 178.5696 81 R 3.8416 7.9969 119.6360 59.2767 29.7887 178.5040 82 V 3.9828 7.8921 118.0712 66.3669 31.4734 178.1624 83 V 3.6104 7.8730 117.6498 66.2927 31.1850 177.7764 84 D 4.5642 8.5730 118.8852 56.8120 40.3415 178.6878 85 W 4.3658 8.5764 128.4206 60.6031 30.9717 177.6354 86 A 3.7535 8.3639 119.2809 53.4389 18.9376 177.4493 87 A 4.4838 7.8887 120.1290 48.7236 18.9899 173.1165 88 P 4.6087 0.0000 0.0000 61.6029 32.4282 177.8155 89 I 3.6843 8.5491 123.2588 64.3972 37.0779 176.8011 90 D 4.6641 7.9841 116.6412 54.1108 39.9033 176.5919 91 T 4.6665 7.7881 108.6908 61.1875 69.5982 173.2336 92 T 4.8666 7.6546 110.5874 60.3372 72.1873 172.7562 93 E 4.6692 8.6805 120.5124 54.0064 32.3863 173.6093 94 P 4.8576 0.0000 0.0000 63.1126 32.4459 175.6829 95 A 4.6077 8.8637 124.2210 49.9280 21.7657 176.3688 96 E 5.4530 8.8180 121.2459 54.9624 31.2298 175.3341 97 E 4.8270 8.0036 116.8252 53.6960 33.0028 174.3980 98 P 4.5974 0.0000 0.0000 61.6314 32.7172 174.7975 99 D 4.6117 8.5096 117.9425 56.1553 41.1740 176.4279 100 G 3.9472 9.2310 114.7063 44.8553 0.0000 172.9489 101 W 4.8401 8.1566 119.6735 55.0957 31.4098 175.1034 102 S 5.1716 8.6884 114.8937 56.5439 66.0783 173.2463 103 G 4.3118 8.2553 116.3752 46.0917 0.0000 172.4375 104 G 4.5541 8.3667 111.2971 44.8100 0.0000 171.1266 105 R 5.1820 8.7713 115.7218 55.1292 33.3146 173.6344 106 A 4.6159 8.7152 119.8497 51.8211 23.4720 176.4251 107 G 4.3562 8.8620 107.1495 46.6824 0.0000 171.5502 108 H 5.3112 8.3500 126.3170 53.1884 31.2300 173.6969 109 E 4.0957 9.0760 118.3389 59.5338 29.1881 178.9208 110 E 4.2566 8.2176 113.9628 56.7950 30.4070 177.0780 111 G 3.7937 6.4553 106.4649 43.8164 0.0000 172.3209 112 A 5.2522 8.5681 122.9875 50.4746 23.4992 176.0603 113 V 4.7801 8.7582 117.7263 60.3397 35.5265 173.9290 114 Y 4.7916 8.8534 123.2926 56.0576 42.0992 173.6105 115 A 4.9811 8.5121 128.3342 50.3050 22.2323 175.0388 116 V 4.9672 8.8605 115.0642 59.9305 36.8341 174.4201 117 Q 5.2103 9.2381 123.0638 54.6370 33.2961 174.1594 118 K 4.0904 8.4530 125.9083 55.0580 34.7964 175.4076 119 G 3.7370 8.6810 118.5335 46.4220 0.0000 172.3830 120 P 4.7251 0.0000 0.0000 62.8621 31.7637 175.8023 121 V 4.6655 7.6165 119.6410 61.3471 33.9835 174.2592 122 A 5.5241 9.0914 128.6627 50.1758 22.7407 174.9244 123 V 4.6168 9.1319 120.1542 61.0140 34.4436 174.5021 124 V 4.4943 8.2901 126.7611 60.8775 34.7035 173.8969 125 V 4.8349 8.5319 127.7105 60.9678 34.1307 174.0034 126 W 5.2674 9.1430 127.9380 55.2507 31.5501 175.2414 127 S 5.2608 9.0735 117.8287 56.4990 65.5605 173.8202 128 N 4.7928 8.9618 121.0661 53.4507 37.7882 175.2107 129 Q 4.4303 8.0864 119.7500 55.2188 29.8225 176.7331 130 Q 4.0319 8.3980 118.4751 57.6716 29.3811 175.9301 131 Q 4.4822 7.8378 118.3534 54.7948 28.7323 176.7278 132 S 4.2422 8.5610 119.4933 60.5600 63.1001 175.7409 133 L 3.8483 7.9617 124.2761 58.1515 41.4452 178.8456 134 K 3.7747 7.5844 117.0840 59.3541 32.0754 178.8046 135 A 4.0362 7.7748 119.2504 54.8895 18.5495 178.6638 136 E 2.5400 8.0039 117.8419 58.9351 29.5050 180.1721 137 L 4.0906 7.6680 115.3822 55.3013 41.3240 178.8794 *139 A 4.1590 7.9103 123.2892 52.2492 20.6090 179.9862 140 K 3.7026 8.0212 115.5652 59.5704 31.9257 179.2272 141 E 3.7299 8.3964 119.3790 58.9377 29.5120 178.5810 142 A 4.0542 7.8864 120.2874 55.3277 18.5619 179.2820 143 I 3.4153 7.6672 118.0806 64.4177 37.2455 178.4121 144 A 3.9346 7.8263 121.2115 55.4514 18.0370 179.9723 145 R 3.8870 7.9684 115.3235 59.1576 30.2212 178.7303 146 L 4.2552 7.9515 116.8026 54.4194 42.0139 176.9715 147 G 3.9038 7.6705 106.3391 46.5206 0.0000 173.8675 148 L 4.2996 7.9760 124.8242 54.7278 41.6744 177.2089 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 2 V 8.05 4.03 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 0.97 0.00 0.00 0.92 0.00 0.00 3 H 8.57 4.85 0.00 3.38 3.30 0.00 5.82 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 4 D 10.61 4.74 0.00 2.89 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 5 S 8.90 3.37 0.00 3.83 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 6 A 8.13 3.82 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 7 L 7.62 4.08 0.00 1.61 1.57 0.29 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.60 0.00 2.16 2.16 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 1.88 1.84 0.00 9 F 8.92 4.11 0.00 3.15 3.33 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 10 D 6.05 3.37 0.00 1.58 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 11 A 7.45 4.05 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 12 L 8.14 4.90 0.00 1.63 1.51 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.08 0.00 2.02 2.07 0.00 3.72 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 *15 P 0.00 4.53 0.00 2.19 2.17 0.00 3.86 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 16 P 0.00 4.66 0.00 2.19 2.00 0.00 4.02 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 2.00 1.97 0.00 17 Q 8.40 5.19 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 *21 G 7.42 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 0.00 0.00 0.00 22 F 8.61 5.11 0.00 3.05 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 23 E 8.93 4.79 0.00 1.87 1.70 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 2.24 2.38 0.00 24 E 8.97 4.10 0.00 2.19 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 0.00 2.33 2.32 0.00 25 C 8.70 4.20 0.00 2.83 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.19 0.00 2.24 2.17 0.00 3.46 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 2.11 2.09 0.00 27 Y 7.19 4.83 0.00 2.98 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 28 L 7.31 4.69 0.00 1.72 1.62 1.11 1.03 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 29 D 8.56 4.63 0.00 2.80 2.60 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 30 S 8.82 4.21 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 31 Q 8.31 4.04 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 32 W 8.45 4.05 0.00 3.43 3.37 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 33 V 8.02 3.11 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 0.28 0.00 0.00 0.57 0.00 0.00 34 A 7.99 4.01 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 35 D 7.95 4.17 0.00 2.56 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.41 3.56 3.30 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 0.67 0.00 0.00 37 N 7.85 4.33 0.00 2.49 2.85 0.00 0.00 7.54 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 38 G 7.92 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 0.00 0.00 0.00 39 Q 7.34 4.87 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 40 R 8.20 4.42 0.00 1.90 1.62 0.00 3.29 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 *42 T 8.67 4.49 4.52 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 1.27 0.00 0.00 43 G 7.85 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.27 5.15 0.00 1.75 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.82 0.00 45 G 8.72 4.52 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 0.00 0.00 0.00 46 V 8.21 4.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 47 D 8.91 5.07 0.00 2.84 2.81 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 0.00 0.00 0.00 0.00 48 T 8.50 4.52 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 1.26 0.00 0.00 49 R 8.34 3.74 0.00 1.50 1.64 0.00 2.95 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 50 F 7.31 4.76 0.00 3.32 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 51 D 9.28 4.55 0.00 2.73 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 52 T 7.80 4.46 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 1.05 0.00 0.00 53 P 0.00 4.85 0.00 2.06 2.10 0.00 3.89 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 54 A 8.89 4.52 1.11 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 55 C 9.51 5.20 0.00 2.69 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.07 4.55 1.81 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 0.08 0.00 0.00 0.78 0.00 0.00 57 F 8.69 4.96 0.00 2.83 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 58 W 9.35 5.05 0.00 3.26 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 59 S 8.39 5.53 0.00 3.77 3.55 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 60 Y 8.57 4.35 0.00 3.16 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 61 P 0.00 4.54 0.00 2.18 1.95 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.32 0.00 62 E 8.76 4.11 0.00 2.12 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 0.00 2.32 2.37 0.00 63 A 7.82 4.36 1.25 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 0.00 0.00 64 P 0.00 4.17 0.00 1.64 1.13 0.00 3.48 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.44 0.00 65 Q 8.65 4.32 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 66 A 7.54 5.08 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 67 T 9.31 5.02 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 68 V 9.00 5.14 2.33 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 1.33 0.00 0.00 1.14 0.00 0.00 *70 V 8.13 4.23 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 0.82 0.00 0.00 0.74 0.00 0.00 71 R 9.13 5.03 0.00 1.79 1.92 0.00 3.39 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 72 H 9.56 4.96 0.00 3.08 3.07 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 P 0.00 4.45 0.00 2.22 2.26 0.00 3.85 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 1.91 2.00 0.00 75 S 7.36 4.59 0.00 4.02 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 76 E 8.58 4.13 0.00 2.01 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 2.34 2.29 0.00 77 E 8.10 3.92 0.00 2.09 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 2.35 2.43 0.00 78 E 8.22 4.03 0.00 2.21 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 0.00 2.32 2.48 0.00 79 A 8.00 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.10 3.69 2.17 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.89 0.94 0.00 0.00 81 R 8.00 3.84 0.00 1.91 2.04 0.00 2.83 0.00 0.00 2.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.30 0.00 82 V 7.89 3.98 2.40 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 1.28 0.00 0.00 1.23 0.00 0.00 83 V 7.87 3.61 2.24 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 1.10 0.00 0.00 0.98 0.00 0.00 84 D 8.57 4.56 0.00 2.78 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 85 W 8.58 4.37 0.00 3.62 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.36 3.75 1.06 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 0.00 0.00 87 A 7.89 4.48 1.11 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 88 P 0.00 4.61 0.00 2.19 2.02 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 89 I 8.55 3.68 1.88 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 1.48 0.74 0.91 0.00 0.00 90 D 7.98 4.66 0.00 2.76 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 91 T 7.79 4.67 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 92 T 7.65 4.87 4.42 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 1.23 0.00 0.00 93 E 8.68 4.67 0.00 2.06 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 2.36 2.26 0.00 94 P 0.00 4.86 0.00 1.94 2.02 0.00 3.60 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 2.02 2.09 0.00 95 A 8.86 4.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.82 5.45 0.00 1.95 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 2.20 2.21 0.00 97 E 8.00 4.83 0.00 2.03 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 2.29 2.29 0.00 98 P 0.00 4.60 0.00 2.27 2.17 0.00 3.22 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 99 D 8.51 4.61 0.00 2.69 2.70 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 0.00 100 G 9.23 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 0.00 101 W 8.16 4.84 0.00 3.60 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.69 5.17 0.00 3.87 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 0.00 103 G 8.26 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 0.00 0.00 0.00 0.00 104 G 8.37 4.55 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 0.00 0.00 0.00 105 R 8.77 5.18 0.00 1.96 1.83 0.00 2.95 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 106 A 8.72 4.62 1.21 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 0.00 0.00 0.00 0.00 0.00 107 G 8.86 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 0.00 0.00 0.00 0.00 108 H 8.35 5.31 0.00 3.35 3.47 0.00 5.49 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.08 4.10 0.00 1.97 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 2.32 2.28 0.00 110 E 8.22 4.26 0.00 2.14 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 2.32 0.00 111 G 6.46 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 0.00 112 A 8.57 5.25 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 0.00 113 V 8.76 4.78 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 0.63 0.00 0.00 0.41 0.00 0.00 114 Y 8.85 4.79 0.00 2.94 2.65 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 0.00 115 A 8.51 4.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.86 4.97 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 0.59 0.00 0.00 0.93 0.00 0.00 117 Q 9.24 5.21 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 118 K 8.45 4.09 0.00 0.79 0.74 0.00 1.46 0.00 0.00 0.66 0.00 0.00 2.35 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.77 0.87 7.81 119 G 8.68 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.73 0.00 2.16 2.13 0.00 3.63 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 121 V 7.62 4.67 2.15 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 1.07 0.00 0.00 0.84 0.00 0.00 122 A 9.09 5.52 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 0.00 123 V 9.13 4.62 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.76 0.00 0.00 124 V 8.29 4.49 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 -0.72 0.00 0.00 0.82 0.00 0.00 125 V 8.53 4.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 126 W 9.14 5.27 0.00 3.33 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 0.00 127 S 9.07 5.26 0.00 3.81 3.63 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 0.00 128 N 8.96 4.79 0.00 2.71 3.00 0.00 0.00 6.92 7.37 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 0.00 129 Q 8.09 4.43 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.58 0.00 130 Q 8.40 4.03 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.05 0.00 0.00 0.00 0.00 0.00 2.60 2.37 0.00 131 Q 7.84 4.48 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 132 S 8.56 4.24 0.00 4.10 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 0.00 133 L 7.96 3.85 0.00 1.74 1.67 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.58 3.77 0.00 1.76 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.36 7.81 135 A 7.77 4.04 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 0.00 136 E 8.00 2.54 0.00 1.60 1.88 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 1.94 1.47 0.00 137 L 7.67 4.09 0.00 1.78 1.77 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *139 A 7.91 4.16 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.02 3.70 0.00 1.82 1.76 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.43 7.81 141 E 8.40 3.73 0.00 1.91 1.84 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 1.47 1.89 0.00 142 A 7.89 4.05 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 0.00 143 I 7.67 3.42 1.65 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.41 0.71 0.00 0.00 144 A 7.83 3.93 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 0.00 145 R 7.97 3.89 0.00 1.80 2.05 0.00 3.26 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 146 L 7.95 4.26 0.00 1.57 1.62 0.24 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.67 3.90 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 0.00 0.00 0.00 148 L 7.98 4.30 0.00 1.86 2.01 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.