NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 Y 4.4629 8.1449 119.1538 57.6806 38.8298 174.2941 4 Q 3.3324 8.4891 119.1334 56.6338 26.1918 172.2998 5 N 4.9317 8.3738 115.5552 53.3617 41.2141 174.5242 6 A 4.4706 8.1953 120.1064 52.5143 20.4576 176.1649 7 N 5.3578 8.9991 117.1677 51.1634 41.0652 173.7173 8 Y 4.5478 8.9476 125.8444 56.2398 40.2172 174.5006 9 S 5.3005 8.6652 123.5856 58.1628 64.2488 173.6967 10 A 4.9689 9.2640 126.6814 50.2493 21.9269 174.8187 11 F 5.0848 7.9573 115.2444 56.4548 40.8165 172.4028 12 Y 4.6131 8.6711 120.5792 56.6822 40.1244 174.6962 13 V 4.2174 7.3458 118.0943 58.8385 35.6778 175.2901 14 S 4.0713 8.2265 117.4948 58.4154 62.8434 173.3336 15 E 4.9111 8.3681 126.1913 53.5891 32.1252 173.8620 16 P 4.7843 0.0000 0.0000 62.9556 32.7889 175.3657 17 F 4.7663 9.3991 123.5428 56.5469 42.5882 173.2852 18 S 4.9620 7.8187 120.1366 56.2214 64.7084 174.6168 19 E 3.5384 8.8829 123.9452 58.2479 29.9451 177.7604 20 S 4.4245 7.4956 113.0324 59.2305 64.2894 174.6068 21 N 4.3830 7.4053 119.4774 52.2542 38.8502 174.2248 22 L 4.0657 8.2238 123.5627 57.0192 42.6354 177.5429 23 G 3.9155 8.9575 113.2066 45.1563 0.0000 174.9117 24 A 3.8864 7.9120 123.1892 55.5080 18.2580 179.3058 25 N 4.8195 8.1239 109.5884 55.0371 38.7194 175.7736 26 S 4.5637 7.9630 113.4689 58.3442 63.9063 173.7598 27 T 4.5866 7.7494 119.1132 61.8655 69.7660 173.9298 28 H 4.5119 8.8030 123.7963 56.1019 29.6000 174.8752 29 D 4.7391 9.0364 122.6695 54.2215 41.1966 178.1417 30 F 3.0205 7.9646 124.1361 61.0428 38.8142 177.1359 31 V 3.2479 7.2139 117.9326 65.1127 30.7943 177.7177 32 Y 3.7160 6.4831 116.0856 60.2613 37.8464 176.9551 33 Y 3.9567 6.3967 119.9872 60.1442 38.8258 178.9269 34 N 3.6004 7.0050 118.7003 52.7473 38.9539 175.8388 *36 L 4.0706 7.9063 119.8524 54.6264 43.7356 180.6326 37 R 4.1627 7.0289 114.1609 56.7863 29.7895 178.5700 *39 W 4.8182 8.1337 120.0535 56.7122 31.1204 177.7666 40 K 4.4211 8.2668 119.0588 59.5710 31.4014 179.1923 41 G 3.5748 8.3231 105.4536 47.4871 0.0000 174.7761 42 E 4.4961 7.5346 117.9671 57.0352 30.0731 175.8278 43 D 4.4792 7.9724 118.2291 52.7769 42.7566 174.9649 44 N 4.5809 8.8172 126.1310 55.5209 39.2094 175.8612 45 S 4.3197 8.3521 111.6834 60.2203 63.5910 174.5108 46 F 3.9738 8.2323 124.8240 58.0206 39.8709 174.1146 47 P 4.5859 0.0000 0.0000 61.4818 29.9985 175.4213 48 F 5.1957 7.8861 120.1075 57.4151 43.0166 174.1293 49 N 4.6653 9.2662 124.0831 51.0155 41.2813 173.1762 50 D 4.1938 8.0092 124.5913 53.5709 41.6631 176.9065 51 A 4.0475 8.6206 130.2434 55.0899 18.6466 177.4475 52 H 4.9407 8.6892 112.6596 55.7565 29.1062 176.5391 53 D 4.4999 7.9674 122.3021 57.3001 41.1222 178.0697 54 K 4.1610 8.2187 117.1423 59.5922 32.9622 177.1582 55 T 4.2390 7.2524 109.3881 61.5966 70.7074 172.3296 56 Y 4.3692 9.4585 131.3003 56.6044 37.3286 174.1212 57 N 5.0056 7.9621 124.2684 52.4285 38.1039 175.6508 58 V 4.1556 6.9990 109.2684 62.1742 31.8783 176.5328 59 R 4.8556 7.4675 117.8377 56.3082 31.6034 175.5484 60 D 5.3147 7.7702 114.9458 52.8793 39.5859 176.6397 61 G 4.0864 8.3025 107.1689 45.8113 0.0000 174.2985 62 S 4.2245 7.7667 114.9413 57.7610 63.4579 173.9430 63 D 4.4342 8.6194 123.1735 54.3838 41.6590 176.9893 64 W 4.1872 9.0640 135.0000 60.5915 31.1346 177.8889 65 E 3.7873 8.3189 116.2966 59.1007 29.1065 178.3596 66 K 4.1644 8.0976 117.3054 58.6763 32.6677 177.2697 67 T 4.3616 7.5508 112.8338 64.4721 71.3502 175.8251 68 L 3.7505 8.5925 122.7518 57.9936 42.1705 178.7815 69 K 2.9894 7.0428 119.4979 58.7819 31.8456 176.9091 70 P 3.9571 0.0000 0.0000 65.3268 31.1581 178.5941 71 R 3.7945 7.5846 117.3928 59.1555 29.9406 178.4400 72 L 4.0063 7.7784 118.8035 58.3119 41.5932 179.3274 73 H 3.7721 7.9527 115.8973 58.9594 28.2972 178.0364 74 T 3.8560 7.7947 116.6441 66.8139 68.6939 176.6682 75 R 4.1801 8.0834 119.9625 59.2257 30.1430 179.0999 76 L 3.9900 8.1978 118.9682 57.8378 41.3609 179.2292 77 D 4.5445 8.2873 118.0211 56.4747 41.0185 177.1135 78 N 4.7249 7.9132 116.1561 52.7615 39.0840 173.9412 79 S 5.4251 7.4870 114.8764 57.1574 65.5664 174.0407 80 K 4.5503 8.7945 122.6197 57.8326 33.7932 175.4423 81 N 4.9421 7.8737 117.0132 52.5274 40.7228 172.8631 82 I 4.9215 8.5955 119.7064 59.6872 40.3438 175.2459 83 I 4.6389 8.9333 127.9064 59.8223 38.8564 174.1526 84 L 5.0252 8.5213 130.6026 53.3133 43.9766 174.9495 85 F 5.0253 8.9112 125.5721 56.0500 39.9331 175.1835 86 L 4.9805 8.3239 124.1701 52.9685 44.5418 175.9921 87 S 4.9477 9.1536 117.7292 56.5338 66.8210 175.0664 88 S 4.2676 9.1948 114.4612 60.3929 62.5745 175.0320 89 I 4.2581 7.4057 112.7330 60.6083 38.1491 176.1333 90 T 3.6938 7.6740 118.6018 64.0559 68.6620 173.7862 91 A 4.1454 6.5036 126.9944 49.8313 20.1641 175.5166 92 N 4.4322 8.5496 119.6400 54.7375 38.5042 176.1642 93 S 4.4939 8.3514 116.4346 56.0277 65.8654 174.5818 94 R 3.6819 8.6256 129.3702 59.5198 29.8975 178.1917 95 A 4.4414 7.9697 119.9538 55.2416 18.2781 179.1574 96 L 4.3926 7.4887 119.0783 57.8780 42.2573 178.9627 97 R 4.1576 8.0674 117.1036 59.4667 30.3307 178.3604 98 E 4.3259 8.5545 118.9524 59.1596 29.4776 178.8439 99 E 3.9997 8.3051 115.0116 57.4837 29.4626 178.4024 *101 N 4.6829 8.0372 118.2686 53.7108 40.7981 176.3261 102 Y 3.9510 8.6719 119.3813 60.5711 39.3287 177.9170 103 G 3.4534 8.4428 108.9617 48.1512 0.0000 175.0816 104 I 3.9527 7.6771 119.9410 63.0603 38.3122 178.1485 105 G 3.5785 8.0679 107.6878 48.9454 0.0000 174.7662 106 T 4.0280 7.4675 115.8673 65.8048 68.8177 176.6872 107 K 3.8309 7.8254 120.1332 57.0959 32.2639 177.8506 108 G 3.8284 7.8344 106.1128 46.2854 0.0000 173.5989 109 L 4.3217 7.8090 119.8395 53.4907 42.3424 175.8891 110 P 4.7491 0.0000 0.0000 62.8667 33.2617 175.0473 111 V 4.9624 8.6216 120.0547 61.3272 34.8672 174.1532 112 I 4.4455 8.7929 129.2286 59.9692 38.8264 174.8337 113 V 4.2330 8.8143 128.8806 61.3643 33.0814 174.4083 114 I 4.6575 8.0853 129.8489 60.0876 39.4874 174.7592 115 Y 4.9506 8.8926 125.2307 54.7641 38.1009 174.7740 116 P 4.1701 0.0000 0.0000 64.6042 31.6143 177.8163 117 D 4.3120 7.7916 117.7844 55.7944 41.1975 175.6419 118 Y 4.9967 8.0112 117.3587 56.2216 41.1047 175.4017 119 D 5.2086 9.0775 120.5300 52.6740 40.7211 175.4747 120 K 4.7487 8.2930 119.3971 54.4315 35.3922 177.3096 121 K 4.0266 8.8053 121.8387 59.7453 32.1154 179.0157 122 S 4.3028 7.9127 110.7022 59.8207 63.1614 174.6182 123 D 4.2381 7.8213 120.8319 56.2584 41.2715 177.5786 124 I 3.7878 7.6717 120.2227 62.6910 37.7911 176.1309 125 V 4.4093 6.9095 110.3304 58.9664 35.0930 175.0359 126 D 4.5952 8.3186 122.4222 52.3418 40.7341 177.2849 127 S 4.2530 8.3699 113.8633 60.5721 62.8168 174.8907 128 N 4.6212 8.2720 116.5767 52.6850 38.5640 175.5549 129 G 3.7560 7.9014 105.6023 46.5069 0.0000 173.5722 130 N 4.6159 8.0896 117.4330 51.7108 39.4905 174.9803 131 F 4.1458 8.5843 121.1190 57.1975 39.8664 175.6759 132 K 4.0660 8.3255 124.4215 55.7672 32.7298 178.1317 133 K 3.7743 8.5636 122.4054 59.7571 31.7532 179.1355 134 Q 4.0275 7.8166 116.5775 59.0268 28.7401 178.4263 135 I 3.6255 7.1223 121.1830 64.0291 37.5081 178.0437 136 K 2.5501 7.2873 119.1034 59.2959 31.5410 179.0713 137 D 4.3840 8.0438 118.5497 57.2599 40.9451 178.5309 138 L 4.2482 7.7299 119.5735 57.5069 41.6371 179.4008 139 W 4.7383 8.0483 118.5736 60.1373 28.8481 178.0591 140 D 4.5650 8.0638 117.2456 56.9727 40.2878 178.4846 141 K 4.3663 7.9536 117.9621 57.3987 33.5161 177.1719 142 L 4.8064 7.9972 120.9723 51.1238 42.3098 174.2227 143 P 4.3310 0.0000 0.0000 65.3408 31.3931 177.5459 144 A 4.2536 8.0013 117.9206 54.5451 18.7228 179.1822 145 F 4.2793 8.3428 119.8023 61.4870 39.3902 177.0908 146 R 3.4486 8.0755 116.5624 59.4731 29.8996 177.2230 147 D 4.5540 8.2522 115.4855 54.5173 42.7612 177.1531 148 N 4.7040 7.5268 118.7816 51.8567 35.6788 175.3960 *150 S 4.2816 7.7072 114.3611 57.8637 65.5008 175.5950 151 S 4.4269 7.8527 113.6612 58.8075 63.1245 173.7109 152 V 4.6724 7.1356 113.4777 59.1698 36.6708 174.2921 153 A 4.9012 8.6030 124.1433 52.4220 19.1951 176.6782 154 T 5.2597 9.3126 112.6592 59.7502 72.5830 172.6915 155 L 4.9113 8.7062 125.7991 53.5892 44.8041 174.5066 156 H 5.7224 9.2555 124.1944 54.2359 30.6206 173.8781 157 I 5.1182 9.2545 117.2132 58.2587 41.2687 173.2988 158 P 4.8391 0.0000 0.0000 63.2799 32.4740 176.2564 159 C 4.7728 8.8655 122.8987 58.1980 30.0612 171.9548 160 T 4.8253 7.9509 112.1800 58.1036 72.0636 175.4153 161 K 3.4379 9.0496 125.8568 59.8334 32.0813 179.2406 162 S 3.9988 7.8933 113.7782 61.2364 62.9770 176.4721 163 V 3.4616 7.6369 121.4605 65.7552 31.3738 177.8088 164 I 3.7875 8.0533 119.8266 64.5043 37.0067 178.4087 165 I 3.4088 7.8976 120.6800 64.4715 36.6994 178.5915 166 S 4.0992 7.7637 114.4001 61.4772 63.0494 176.4026 167 A 4.2393 8.1916 123.3153 55.3230 18.0437 179.6092 168 L 4.2057 7.9782 115.2107 56.7208 41.7719 178.2277 169 N 4.9136 7.7915 115.0282 51.8985 39.0612 173.9225 170 N 4.8068 7.7061 120.8559 51.7332 39.4056 175.4867 171 E 4.0712 8.8019 126.2453 59.2607 29.7482 178.3788 172 D 4.2899 8.3620 118.1108 56.1536 40.8915 176.8196 173 F 4.5221 7.4190 118.5323 55.1719 38.2516 174.9123 *175 V 4.1556 7.7831 123.4663 61.5758 33.2526 178.3294 176 N 4.2572 8.1129 115.2373 54.1760 38.7371 174.7912 177 T 4.2266 7.1794 108.1043 59.4869 70.6551 173.3258 *179 A 3.9916 8.3481 128.2780 51.1407 19.7202 175.2810 180 D 4.3961 8.4936 118.5188 54.5059 41.2953 176.8350 181 A 4.2816 8.5404 124.7093 52.6732 18.9241 176.3089 182 E 4.5083 8.3306 121.6469 55.7072 34.2611 174.7867 183 K 4.9451 8.4303 122.5390 54.8753 32.9878 175.9789 184 Y 5.0326 9.4294 123.6820 56.9326 40.7581 174.3607 185 Y 5.0384 7.5242 116.7825 56.4917 41.3673 173.0719 186 Y 4.6710 8.4713 118.7968 56.9700 38.8483 175.6454 187 K 4.3864 8.7487 126.9083 55.6567 33.0178 174.6964 188 P 4.4808 0.0000 0.0000 63.1086 31.4164 175.9906 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *3 Y 8.14 4.46 0.00 2.35 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 0.00 0.00 0.00 0.00 4 Q 8.49 3.33 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 5 N 8.37 4.93 0.00 2.70 2.79 0.00 0.00 7.24 7.96 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 6 A 8.20 4.47 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 9.00 5.36 0.00 2.86 2.98 0.00 0.00 6.47 7.18 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 8 Y 8.95 4.55 0.00 3.10 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 9 S 8.67 5.30 0.00 4.05 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 10 A 9.26 4.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 7.96 5.08 0.00 3.12 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 0.00 12 Y 8.67 4.61 0.00 3.20 2.98 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 13 V 7.35 4.22 1.59 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 0.39 0.00 0.00 0.52 0.00 0.00 14 S 8.23 4.07 0.00 3.94 3.81 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 15 E 8.37 4.91 0.00 1.98 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 0.00 2.41 2.40 0.00 16 P 0.00 4.78 0.00 2.09 2.08 0.00 3.73 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 1.99 1.97 0.00 17 F 9.40 4.77 0.00 3.16 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.82 4.96 0.00 3.78 3.41 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 19 E 8.88 3.54 0.00 2.21 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 2.43 2.37 0.00 20 S 7.50 4.42 0.00 3.98 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 21 N 7.41 4.38 0.00 2.45 2.62 0.00 0.00 6.45 6.60 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 22 L 8.22 4.07 0.00 1.53 1.54 0.89 1.08 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 23 G 8.96 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 24 A 7.91 3.89 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 25 N 8.12 4.82 0.00 2.73 2.86 0.00 0.00 6.79 7.57 0.00 0.00 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 S 7.96 4.56 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.75 4.59 4.56 0.00 0.00 0.00 0.00 0.00 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 28 H 8.80 4.51 0.00 3.17 3.33 0.00 5.70 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 29 D 9.04 4.74 0.00 3.08 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 30 F 7.96 3.02 0.00 2.67 3.02 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 31 V 7.21 3.25 1.67 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 -0.64 0.00 0.00 0.51 0.00 0.00 32 Y 6.48 3.72 0.00 1.74 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 6.40 3.96 0.00 2.15 1.68 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 34 N 7.00 3.60 0.00 2.13 2.37 0.00 0.00 7.28 7.33 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 *36 L 7.91 4.07 0.00 1.18 0.51 0.79 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.03 4.16 0.00 1.69 1.80 0.00 3.09 0.00 0.00 2.94 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 0.00 *39 W 8.13 4.82 0.00 2.71 1.76 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 40 K 8.27 4.42 0.00 2.29 2.16 0.00 1.74 0.00 0.00 2.17 0.00 0.00 3.33 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.66 1.65 7.81 41 G 8.32 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.53 4.50 0.00 2.07 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 2.33 2.48 0.00 43 D 7.97 4.48 0.00 2.74 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 44 N 8.82 4.58 0.00 2.77 2.87 0.00 0.00 7.27 7.63 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 45 S 8.35 4.32 0.00 4.05 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 46 F 8.23 3.97 0.00 3.14 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 47 P 0.00 4.59 0.00 2.12 2.07 0.00 2.26 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 48 F 7.89 5.20 0.00 3.27 3.37 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0.00 0.00 65 E 8.32 3.79 0.00 2.01 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 2.49 2.35 0.00 66 K 8.10 4.16 0.00 1.84 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.51 7.81 67 T 7.55 4.36 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 1.17 0.00 0.00 68 L 8.59 3.75 0.00 1.86 1.57 0.94 0.98 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 69 K 7.04 2.99 0.00 0.79 0.95 0.00 1.72 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.70 0.79 7.81 70 P 0.00 3.96 0.00 2.03 1.93 0.00 3.45 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 71 R 7.58 3.79 0.00 1.84 2.00 0.00 3.03 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 72 L 7.78 4.01 0.00 1.70 1.66 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.95 3.77 0.00 2.94 2.79 0.00 5.64 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 74 T 7.79 3.86 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 75 R 8.08 4.18 0.00 2.16 2.22 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 76 L 8.20 3.99 0.00 1.85 1.73 0.85 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.29 4.54 0.00 2.87 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 N 7.91 4.72 0.00 2.89 2.95 0.00 0.00 6.83 7.39 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 79 S 7.49 5.43 0.00 4.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.79 4.55 0.00 1.74 2.14 0.00 1.67 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.42 7.81 81 N 7.87 4.94 0.00 3.06 3.13 0.00 0.00 6.10 7.68 0.00 0.00 0.00 0.00 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0.00 0.00 90 T 7.67 3.69 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 1.28 0.00 0.00 91 A 6.50 4.15 0.67 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 92 N 8.55 4.43 0.00 2.73 2.84 0.00 0.00 6.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.35 4.49 0.00 4.10 3.86 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 0.00 0.00 0.00 0.00 94 R 8.63 3.68 0.00 1.62 1.52 0.00 2.58 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 95 A 7.97 4.44 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 4.39 0.00 1.66 1.98 1.11 1.19 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 97 R 8.07 4.16 0.00 2.03 2.05 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 1.73 1.93 0.00 98 E 8.55 4.33 0.00 2.57 2.46 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124 I 7.67 3.79 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.23 1.00 0.00 0.00 125 V 6.91 4.41 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 -0.83 0.00 0.00 0.38 0.00 0.00 126 D 8.32 4.60 0.00 2.77 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 0.00 127 S 8.37 4.25 0.00 3.85 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 0.00 128 N 8.27 4.62 0.00 2.78 2.81 0.00 0.00 7.01 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 0.00 129 G 7.90 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 0.00 130 N 8.09 4.62 0.00 2.97 2.70 0.00 0.00 7.03 7.75 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 0.00 131 F 8.58 4.15 0.00 3.00 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 0.00 132 K 8.33 4.07 0.00 1.57 1.53 0.00 1.59 0.00 0.00 1.39 0.00 0.00 2.71 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.05 7.81 133 K 8.56 3.77 0.00 1.78 1.73 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.66 7.81 134 Q 7.82 4.03 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 135 I 7.12 3.63 1.61 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.00 0.47 0.00 0.00 136 K 7.29 2.55 0.00 1.53 1.64 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.50 1.19 7.81 137 D 8.04 4.38 0.00 2.75 2.72 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 0.00 138 L 7.73 4.25 0.00 2.05 1.94 1.27 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 139 W 8.05 4.74 0.00 3.59 3.25 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 0.00 140 D 8.06 4.56 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 0.00 141 K 7.95 4.37 0.00 2.01 2.02 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.71 7.81 142 L 8.00 4.81 0.00 1.79 1.68 1.03 0.86 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 0.00 143 P 0.00 4.33 0.00 2.24 2.14 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 144 A 8.00 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.34 4.28 0.00 3.19 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 0.00 146 R 8.08 3.45 0.00 2.16 2.15 0.00 3.39 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 147 D 8.25 4.55 0.00 2.68 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 0.00 148 N 7.53 4.70 0.00 2.82 2.66 0.00 0.00 6.60 6.85 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 *150 S 7.71 4.28 0.00 3.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 7.85 4.43 0.00 3.97 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 0.00 152 V 7.14 4.67 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 0.86 0.00 0.00 0.95 0.00 0.00 153 A 8.60 4.90 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 9.31 5.26 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 1.31 0.00 0.00 155 L 8.71 4.91 0.00 0.27 0.71 0.37 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 156 H 9.26 5.72 0.00 3.64 3.84 0.00 5.65 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 9.25 5.12 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 1.06 0.00 0.00 158 P 0.00 4.84 0.00 2.17 2.41 0.00 3.99 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 159 C 8.87 4.77 0.00 3.19 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 0.00 160 T 7.95 4.83 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 1.29 0.00 0.00 161 K 9.05 3.44 0.00 1.42 1.58 0.00 0.90 0.00 0.00 1.44 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 0.21 7.81 162 S 7.89 4.00 0.00 4.01 4.03 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 0.00 0.00 0.00 163 V 7.64 3.46 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 1.18 0.00 0.00 0.87 0.00 0.00 164 I 8.05 3.79 2.14 0.00 0.00 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 1.67 0.65 1.15 0.00 0.00 165 I 7.90 3.41 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.82 0.76 0.00 0.00 166 S 7.76 4.10 0.00 3.98 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 0.00 167 A 8.19 4.24 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 0.00 168 L 7.98 4.21 0.00 1.52 1.84 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 169 N 7.79 4.91 0.00 2.78 2.83 0.00 0.00 6.81 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 7.71 4.81 0.00 3.04 3.07 0.00 0.00 7.18 6.96 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 0.00 171 E 8.80 4.07 0.00 1.95 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 2.31 2.33 0.00 172 D 8.36 4.29 0.00 2.19 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.42 4.52 0.00 3.10 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 *175 V 7.78 4.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.90 0.00 0.00 176 N 8.11 4.26 0.00 2.72 2.89 0.00 0.00 6.65 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 0.00 177 T 7.18 4.23 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 1.18 0.00 0.00 *179 A 8.35 3.99 0.94 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 0.00 180 D 8.49 4.40 0.00 2.77 2.67 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 0.00 181 A 8.54 4.28 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 0.00 182 E 8.33 4.51 0.00 1.69 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 1.59 1.97 0.00 183 K 8.43 4.95 0.00 1.78 1.64 0.00 0.90 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.13 1.11 7.81 184 Y 9.43 5.03 0.00 2.99 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 0.00 185 Y 7.52 5.04 0.00 2.99 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 0.00 186 Y 8.47 4.67 0.00 3.12 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 0.00 187 K 8.75 4.39 0.00 1.82 1.81 0.00 1.85 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.61 7.81 188 P 0.00 4.48 0.00 2.22 2.11 0.00 3.93 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 * Residues marked with a * may have inaccurate shift predictions.