NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3634 0.0000 0.0000 62.0549 33.4720 177.1525 3 Q 4.0526 7.9212 118.1278 56.2307 29.8002 174.8167 4 L 4.2147 7.8709 117.4285 57.0811 42.8902 177.0832 5 T 4.4381 7.8125 105.3250 61.0822 70.0733 173.8445 6 L 4.7101 7.2681 122.3540 52.8608 43.8311 175.2755 7 D 5.0129 7.7280 121.4051 51.2530 42.4742 177.4864 8 K 4.3433 7.8500 117.4656 59.3505 32.1165 178.6389 9 T 3.8551 7.9665 108.6273 65.1954 68.6306 176.0261 10 D 4.3507 8.2370 121.8514 57.2109 40.6745 178.9038 11 I 3.9923 7.6739 119.3133 63.5331 37.4053 177.9141 12 K 4.5678 7.9440 121.9767 58.3469 31.8875 179.0249 13 I 3.6946 8.0026 120.7651 64.5235 37.1263 178.4002 14 L 4.0574 7.6017 118.2924 57.5080 41.1758 179.6153 15 Q 3.9686 7.8702 118.2050 59.1222 28.7431 179.0495 16 V 3.5415 7.7127 119.0026 65.9518 31.3136 178.0928 17 L 4.0982 8.1659 118.4414 57.8186 41.5817 178.9634 18 Q 4.0831 8.0101 117.1246 58.6747 28.6427 178.1783 19 E 4.5128 7.6324 117.6090 56.5526 31.6107 176.1502 20 N 4.9949 7.9549 115.3259 51.4175 38.7464 174.3847 21 G 3.9412 8.1947 106.8412 46.4919 0.0000 171.4689 22 R 4.6795 7.6842 118.6892 54.8063 30.5763 174.2942 23 L 4.8685 7.6328 124.2476 53.9015 42.4546 177.1633 24 T 4.6773 8.0090 113.5239 60.0717 73.2260 173.9623 25 N 4.1900 8.8648 120.1544 57.2554 38.6836 177.6115 26 V 3.5828 7.6475 113.0024 64.2782 31.3388 177.6649 27 E 3.8988 7.7466 118.4390 59.3068 29.3872 178.5433 28 L 3.9497 8.0056 120.0289 58.4341 42.1164 178.9020 29 S 4.1343 8.1597 112.8996 61.1960 62.0246 175.0495 30 E 4.3236 8.4081 118.8417 57.0335 29.2631 176.5996 31 R 4.5530 8.2230 115.2608 56.0580 31.7478 175.2762 32 V 4.0518 7.4861 114.8719 62.4839 32.7939 173.8445 33 A 3.5996 8.5292 121.0001 52.6704 15.0653 176.5267 34 L 4.3258 7.1971 124.1429 53.7372 44.8273 174.4968 35 S 4.7780 8.3431 111.0346 56.1015 66.8776 172.9886 36 P 4.4080 0.0000 0.0000 64.8471 31.4730 177.8777 37 S 4.6045 7.9938 113.8763 59.6692 64.1139 174.3888 38 P 4.2531 0.0000 0.0000 65.8245 31.1195 177.8952 39 C 4.0733 8.1609 118.5228 62.2456 31.4044 175.2027 40 L 3.9588 7.4430 121.5290 58.2429 41.4440 178.4997 41 R 3.9794 7.6530 118.7378 59.8358 29.9828 178.6181 42 R 4.2548 7.7984 116.8982 58.7380 28.9560 178.5504 43 L 4.0103 8.1471 121.1343 57.6446 41.2535 178.2608 44 K 4.2397 8.8764 118.4817 57.9259 32.0204 177.9073 45 Q 4.4251 7.4689 117.0255 58.1387 29.6560 177.5873 46 L 4.0417 7.6990 119.8452 57.8095 41.6281 178.9940 47 E 4.4192 7.6737 113.0866 57.8137 29.9502 177.4871 48 D 4.5449 7.3885 115.7935 56.2488 41.5483 176.8419 49 A 4.6210 8.0878 119.2088 51.8614 19.4069 177.7433 50 G 3.9949 8.3090 108.8676 46.5607 0.0000 175.7410 51 I 3.6164 7.4044 120.2734 64.0410 37.1685 177.2744 52 V 3.9281 7.3962 127.2781 61.3607 30.3422 175.5757 53 R 4.1157 8.2366 124.3547 58.2230 30.0941 176.8974 54 Q 4.5071 7.2591 115.3603 55.4126 31.6422 172.0424 55 Y 4.5521 8.7587 121.7174 56.2300 39.8905 175.0465 56 A 4.6926 8.2466 125.4115 50.3983 22.5191 174.9453 57 A 4.3950 8.4398 122.8624 51.1227 19.8415 177.1156 58 L 4.5654 8.3864 122.6414 53.0106 43.1247 176.3851 59 L 4.4025 8.1390 123.5563 53.2129 43.6895 176.3824 60 S 4.4055 8.1826 115.3466 56.5619 62.4693 172.6714 61 P 4.0472 0.0000 0.0000 65.6271 31.4201 178.7667 62 E 4.1066 8.2489 115.4648 59.2340 29.8588 178.5703 63 S 4.0419 7.8347 113.4061 60.9588 62.2816 175.5193 64 V 4.1812 7.4888 110.8992 61.3071 31.8663 175.7984 65 N 4.1860 8.3344 115.8859 54.2116 37.8396 173.5103 66 L 4.8485 8.2575 118.1456 53.6896 40.5390 175.9361 67 G 4.1006 8.2130 109.0376 45.5121 0.0000 171.0427 68 L 4.5642 8.0265 122.8982 53.0087 44.4076 174.2033 69 Q 4.1251 8.2972 127.2055 54.3974 30.7099 173.8266 70 A 5.3582 8.6809 128.1918 50.2956 22.7338 175.0390 71 F 5.2912 9.7192 120.5608 55.9032 40.9484 173.9351 72 I 4.7790 8.8340 125.1142 60.3163 39.1140 175.1694 73 R 5.1062 9.3471 126.4184 54.9027 31.8287 175.2941 74 V 4.8230 8.8095 124.7621 61.1009 34.4583 174.1723 75 S 5.0193 9.1235 122.1202 56.5378 64.1604 173.4652 76 I 4.4454 8.4071 127.6551 60.5372 39.0079 174.8527 77 R 4.6440 8.2028 122.1617 53.5424 30.9735 176.9701 78 K 4.3542 8.0720 122.5161 55.3599 32.4891 175.3805 79 A 4.5601 7.5744 130.1073 52.3082 16.8440 178.3048 80 K 4.4467 8.3857 116.8724 57.8800 35.4636 176.0193 81 D 4.7815 8.1082 116.0420 54.7090 41.5763 177.8114 82 A 4.0995 8.2104 124.6666 55.9444 18.2128 180.6339 83 R 4.1173 8.0189 115.6049 59.1311 30.2848 178.8725 84 E 3.9608 8.0290 118.1317 59.5809 29.7655 178.6984 85 D 4.4211 8.6268 119.2039 57.3418 40.8317 178.8468 86 F 3.8210 8.2149 120.5188 61.1144 39.2949 176.7583 87 A 3.6151 7.7448 119.5930 55.2815 17.9455 179.2947 88 A 3.7841 8.0689 117.7971 55.5550 18.6996 179.6858 89 S 3.7675 7.4169 113.1858 61.0283 62.9138 176.9279 90 V 2.5265 6.7462 121.2250 65.6585 30.9094 178.3510 91 R 3.8643 7.0717 116.5080 58.4656 29.9210 178.2860 92 K 4.3860 7.1559 116.1126 55.7509 32.4867 176.6218 93 W 4.9919 7.3703 121.0014 54.6635 29.1165 175.4652 94 P 4.3368 0.0000 0.0000 65.0974 31.3209 178.1226 95 E 3.5989 8.1154 116.1480 58.2815 29.5889 176.2545 96 V 4.1006 7.2355 119.4204 61.4146 31.0011 175.4801 97 L 4.3124 8.5847 127.9159 57.3428 41.9681 177.6300 98 S 4.6901 8.0478 111.9182 56.7064 66.7423 172.3267 99 C 5.0936 7.5090 120.0260 58.3210 34.4388 173.0113 100 F 5.1743 9.1774 123.4268 55.8565 43.2941 173.9919 101 A 4.7883 9.0988 125.0049 51.1199 18.6677 176.7681 102 L 4.6367 8.1773 121.1646 54.4201 43.7878 176.9578 103 T 4.1512 8.2388 111.0685 61.2361 69.3742 174.4547 104 G 3.7823 8.3351 106.9239 44.1877 0.0000 173.3263 105 E 4.0233 8.5268 118.0750 58.9566 29.8609 178.0271 106 T 4.2672 7.0299 110.2892 61.5427 68.4644 173.8902 107 D 4.3763 8.7387 128.7564 57.0648 41.9853 175.6963 108 Y 5.3723 8.2155 115.2374 56.0063 42.6334 174.1468 109 L 5.3885 9.4110 124.2872 53.5095 45.2565 174.9359 110 L 5.3176 9.5800 126.6731 53.1001 44.8944 175.1441 111 Q 4.7861 9.0225 124.2282 54.3205 31.1475 174.1447 112 A 5.0591 8.5887 127.1417 50.2367 23.2210 174.3129 113 F 4.9206 8.1614 117.3206 55.7841 42.0412 174.8216 114 F 4.8475 8.6619 119.2982 56.5489 43.1703 176.0142 115 T 4.3165 9.1488 115.9010 66.4078 69.5931 175.4750 116 D 4.4996 8.1425 122.1149 53.6849 45.1539 176.4299 *118 N 4.4938 9.4520 115.5977 53.1033 40.9699 175.8083 119 A 4.0499 8.9436 120.0992 55.5146 18.2812 179.4338 120 F 3.0265 7.9378 118.5157 61.0454 39.3086 176.9800 121 S 3.9940 8.0274 112.2192 61.9755 62.0418 175.8348 122 H 4.2864 8.0301 119.9829 58.0952 28.3741 177.6308 123 F 3.9615 8.0243 122.5584 61.1419 39.1557 177.4231 124 V 3.0053 7.3314 117.9640 65.8412 31.1139 178.0366 125 L 3.8368 7.6828 117.5563 57.5952 41.5751 178.6254 126 D 4.5721 8.2578 117.9521 55.7692 41.1863 176.6801 127 T 4.2448 7.3687 114.7383 63.1702 70.4808 175.5774 128 L 3.5832 6.5093 122.2435 58.6366 42.2664 179.2825 129 L 4.1677 7.6767 117.3379 57.3772 41.5548 179.3050 130 S 4.2317 7.9184 113.9365 60.2416 63.3087 173.9867 131 H 4.3418 7.9221 123.2174 56.2132 30.2041 175.6039 132 H 4.3710 8.9926 122.3336 58.7326 28.8578 176.8824 133 G 3.7241 8.0694 107.2085 48.7073 0.0000 174.0149 134 V 3.8547 7.4710 120.0013 63.2174 31.2378 175.7987 135 Q 4.3278 9.1419 130.2979 58.3167 30.5845 174.7351 136 D 4.8609 7.6496 115.3873 53.2192 44.7272 173.9545 137 A 5.3835 8.4611 124.3209 50.3673 22.7306 175.5166 138 Q 4.6647 9.3793 119.1610 54.6411 32.1101 173.9576 139 S 5.2183 8.7936 117.5757 56.5894 66.0126 173.2686 140 S 4.4268 8.7199 117.9503 56.6284 66.5679 172.7768 141 F 5.6241 8.1331 118.5061 55.6555 42.6566 175.1792 142 V 3.9318 8.7209 122.2165 62.8453 31.0754 176.0078 143 L 4.2964 8.7636 128.5186 56.7965 42.2848 177.5524 144 K 4.2641 7.6117 118.0037 55.2934 34.7533 174.4482 145 E 4.3581 8.7492 128.1184 55.1270 28.8950 175.7111 146 I 3.9245 8.3533 128.3737 63.9561 37.5811 177.1113 147 K 4.3354 7.6706 117.0167 55.8285 34.7257 174.1635 148 H 4.5986 8.6356 125.9076 55.5875 31.3946 172.1885 149 T 4.6550 8.0315 120.9298 60.4446 70.2728 173.6324 150 T 4.2254 8.3854 116.2143 62.3485 69.7286 175.0141 151 S 4.4260 7.4584 118.1943 57.8895 63.6289 174.2705 152 L 4.3249 8.7663 125.8546 53.2670 42.3357 174.7585 153 P 4.5727 0.0000 0.0000 62.5598 32.2571 176.1025 154 L 4.8129 8.2495 118.5462 54.4595 43.1595 177.9273 155 N 4.3885 8.1730 116.8389 55.7948 38.5807 175.9165 156 H 4.5149 8.3153 111.9937 56.6108 28.9122 175.5963 157 L 4.3580 7.8923 119.6638 54.7477 42.3059 176.4865 158 L 4.2065 7.4258 123.5877 54.9064 41.6003 176.4727 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 P 0.00 4.36 0.00 2.15 2.13 0.00 3.54 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 2.00 2.07 0.00 3 Q 7.92 4.05 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 4 L 7.87 4.21 0.00 1.67 1.70 0.92 0.82 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 5 T 7.81 4.44 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 L 7.27 4.71 0.00 1.90 1.60 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.73 5.01 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.85 4.34 0.00 1.80 1.82 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.50 7.81 9 T 7.97 3.86 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 10 D 8.24 4.35 0.00 3.01 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 11 I 7.67 3.99 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.91 0.00 0.00 12 K 7.94 4.57 0.00 1.89 1.97 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.39 7.81 13 I 8.00 3.69 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 0.95 0.00 0.00 14 L 7.60 4.06 0.00 1.74 1.71 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.87 3.97 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 16 V 7.71 3.54 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 1.05 0.00 0.00 0.99 0.00 0.00 17 L 8.17 4.10 0.00 1.75 1.79 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.01 4.08 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 19 E 7.63 4.51 0.00 2.04 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 2.48 0.00 20 N 7.95 4.99 0.00 2.81 2.73 0.00 0.00 7.01 7.68 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 21 G 8.19 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 22 R 7.68 4.68 0.00 1.76 1.83 0.00 3.22 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 23 L 7.63 4.87 0.00 1.66 1.56 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.01 4.68 4.22 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 1.19 0.00 0.00 25 N 8.86 4.19 0.00 2.83 2.87 0.00 0.00 6.97 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 7.65 3.58 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 0.78 0.00 0.00 0.92 0.00 0.00 27 E 7.75 3.90 0.00 2.04 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 0.00 2.31 2.33 0.00 28 L 8.01 3.95 0.00 1.81 1.65 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.16 4.13 0.00 4.07 3.98 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 30 E 8.41 4.32 0.00 2.29 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 2.32 2.46 0.00 31 R 8.22 4.55 0.00 1.73 1.97 0.00 3.28 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 32 V 7.49 4.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.03 0.00 0.00 33 A 8.53 3.60 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 34 L 7.20 4.33 0.00 1.55 1.46 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.34 4.78 0.00 3.86 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 36 P 0.00 4.41 0.00 2.03 2.11 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 37 S 7.99 4.60 0.00 3.84 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 38 P 0.00 4.25 0.00 2.26 2.30 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.02 0.00 39 C 8.16 4.07 0.00 3.04 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 40 L 7.44 3.96 0.00 1.83 1.84 0.91 0.83 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 41 R 7.65 3.98 0.00 1.89 2.18 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 42 R 7.80 4.25 0.00 2.18 2.21 0.00 3.11 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 43 L 8.15 4.01 0.00 1.89 1.92 1.01 0.41 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 44 K 8.88 4.24 0.00 1.99 1.78 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 45 Q 7.47 4.43 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 46 L 7.70 4.04 0.00 1.72 1.73 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.67 4.42 0.00 2.35 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 0.00 2.60 2.38 0.00 48 D 7.39 4.54 0.00 2.95 2.86 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 49 A 8.09 4.62 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 50 G 8.31 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 0.00 0.00 0.00 51 I 7.40 3.62 1.94 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 1.18 0.58 0.90 0.00 0.00 52 V 7.40 3.93 2.06 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 0.23 0.00 0.00 0.88 0.00 0.00 53 R 8.24 4.12 0.00 1.95 2.03 0.00 3.12 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 54 Q 7.26 4.51 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 55 Y 8.76 4.55 0.00 2.98 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 56 A 8.25 4.69 1.19 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 0.00 0.00 0.00 57 A 8.44 4.39 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 58 L 8.39 4.57 0.00 1.63 1.60 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.14 4.40 0.00 1.52 1.50 0.86 0.89 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 60 S 8.18 4.41 0.00 3.82 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 61 P 0.00 4.05 0.00 2.27 1.80 0.00 3.59 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 2.08 1.53 0.00 62 E 8.25 4.11 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 63 S 7.83 4.04 0.00 3.86 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 64 V 7.49 4.18 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 0.70 0.00 0.00 0.94 0.00 0.00 65 N 8.33 4.19 0.00 2.88 2.88 0.00 0.00 7.19 7.27 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 66 L 8.26 4.85 0.00 1.66 1.74 0.73 0.83 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 67 G 8.21 4.10 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 0.00 0.00 0.00 68 L 8.03 4.56 0.00 1.58 1.45 0.39 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.30 4.13 0.00 1.61 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 70 A 8.68 5.36 1.55 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 71 F 9.72 5.29 0.00 2.97 2.99 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 72 I 8.83 4.78 2.15 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.87 1.10 0.00 0.00 73 R 9.35 5.11 0.00 1.89 1.92 0.00 3.11 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 74 V 8.81 4.82 2.22 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 0.75 0.00 0.00 1.10 0.00 0.00 75 S 9.12 5.02 0.00 3.86 3.68 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 76 I 8.41 4.45 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.97 0.00 0.00 77 R 8.20 4.64 0.00 1.88 2.02 0.00 3.34 0.00 0.00 3.06 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 78 K 8.07 4.35 0.00 1.72 1.79 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.50 7.81 79 A 7.57 4.56 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 80 K 8.39 4.45 0.00 1.72 1.65 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.44 7.81 81 D 8.11 4.78 0.00 2.80 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 82 A 8.21 4.10 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 83 R 8.02 4.12 0.00 1.97 2.18 0.00 3.18 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 84 E 8.03 3.96 0.00 2.21 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 2.42 2.43 0.00 85 D 8.63 4.42 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 86 F 8.21 3.82 0.00 3.07 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.74 3.62 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 88 A 8.07 3.78 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.42 3.77 0.00 3.30 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 90 V 6.75 2.53 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 0.84 0.00 0.00 -0.30 0.00 0.00 91 R 7.07 3.86 0.00 1.73 1.85 0.00 3.11 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 92 K 7.16 4.39 0.00 1.64 1.82 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.50 7.81 93 W 7.37 4.99 0.00 3.65 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 94 P 0.00 4.34 0.00 2.02 2.10 0.00 3.78 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 95 E 8.12 3.60 0.00 1.22 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 1.87 1.47 0.00 96 V 7.24 4.10 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 0.93 0.00 0.00 1.33 0.00 0.00 97 L 8.58 4.31 0.00 1.77 1.75 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.05 4.69 0.00 3.34 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 99 C 7.51 5.09 0.00 2.88 2.62 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 0.00 100 F 9.18 5.17 0.00 3.14 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 0.00 101 A 9.10 4.79 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 0.00 102 L 8.18 4.64 0.00 1.55 1.61 1.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.24 4.15 4.22 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 1.19 0.00 0.00 104 G 8.34 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.53 4.02 0.00 1.92 1.98 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 2.28 2.29 0.00 106 T 7.03 4.27 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 107 D 8.74 4.38 0.00 2.81 2.22 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 0.00 108 Y 8.22 5.37 0.00 2.96 2.95 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 0.00 109 L 9.41 5.39 0.00 1.89 1.78 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.58 5.32 0.00 1.87 1.74 1.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 9.02 4.79 0.00 2.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 1.91 1.16 0.00 112 A 8.59 5.06 1.14 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 0.00 113 F 8.16 4.92 0.00 2.65 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 0.00 114 F 8.66 4.85 0.00 2.96 2.93 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 0.00 115 T 9.15 4.32 4.29 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 1.31 0.00 0.00 116 D 8.14 4.50 0.00 2.84 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 0.00 0.00 0.00 0.00 *118 N 9.45 4.49 0.00 3.01 2.99 0.00 0.00 6.65 7.08 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 0.00 119 A 8.94 4.05 1.49 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 0.00 0.00 0.00 120 F 7.94 3.03 0.00 2.73 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.03 3.99 0.00 3.91 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 0.00 122 H 8.03 4.29 0.00 3.34 3.41 0.00 5.69 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 0.00 123 F 8.02 3.96 0.00 2.95 2.61 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 0.00 124 V 7.33 3.01 1.69 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 0.89 0.00 0.00 -0.15 0.00 0.00 125 L 7.68 3.84 0.00 1.58 1.63 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.26 4.57 0.00 2.62 2.63 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 0.00 127 T 7.37 4.24 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 -0.10 0.00 0.00 128 L 6.51 3.58 0.00 0.95 1.49 1.19 0.97 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 0.00 129 L 7.68 4.17 0.00 1.62 1.66 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.92 4.23 0.00 4.03 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 0.00 131 H 7.92 4.34 0.00 3.58 3.56 0.00 5.59 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.99 4.37 0.00 3.34 3.42 0.00 5.58 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.07 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 0.00 134 V 7.47 3.85 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 0.72 0.00 0.00 1.09 0.00 0.00 135 Q 9.14 4.33 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.41 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 136 D 7.65 4.86 0.00 2.75 2.43 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 0.00 137 A 8.46 5.38 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 0.00 138 Q 9.38 4.66 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 139 S 8.79 5.22 0.00 3.94 4.11 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 0.00 140 S 8.72 4.43 0.00 3.76 3.71 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 0.00 141 F 8.13 5.62 0.00 2.85 2.69 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 0.00 142 V 8.72 3.93 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 0.83 0.00 0.00 1.07 0.00 0.00 143 L 8.76 4.30 0.00 1.71 1.73 0.94 0.91 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 0.00 144 K 7.61 4.26 0.00 1.69 1.67 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.44 7.81 145 E 8.75 4.36 0.00 2.04 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 2.34 2.42 0.00 146 I 8.35 3.92 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 0.93 0.00 0.00 147 K 7.67 4.34 0.00 1.68 1.64 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.40 7.81 148 H 8.64 4.60 0.00 3.19 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.03 4.65 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 1.19 0.00 0.00 150 T 8.39 4.23 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 1.23 0.00 0.00 151 S 7.46 4.43 0.00 4.00 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 L 8.77 4.32 0.00 1.77 1.63 0.92 1.26 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 0.00 153 P 0.00 4.57 0.00 2.15 2.02 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 154 L 8.25 4.81 0.00 1.70 1.69 0.93 0.75 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 0.00 155 N 8.17 4.39 0.00 2.77 2.88 0.00 0.00 6.88 8.16 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 0.00 156 H 8.32 4.51 0.00 3.27 3.39 0.00 5.51 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 0.00 157 L 7.89 4.36 0.00 1.65 1.66 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.43 4.21 0.00 1.65 1.57 0.92 0.77 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 * Residues marked with a * may have inaccurate shift predictions.