NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0989 8.0549 120.3913 62.3819 32.3364 175.1970 2 L 3.9701 8.2598 127.6620 52.5359 42.3124 176.1739 3 S 4.5168 9.7497 118.8976 57.7555 66.2163 174.9852 4 E 4.2797 8.9112 122.3195 59.8116 29.3342 179.9095 5 G 3.6596 8.1298 105.0093 47.9325 0.0000 175.3340 6 E 3.9430 8.2311 121.0954 58.9505 29.3647 179.5512 7 W 4.4664 8.3014 119.0191 59.8619 29.0819 178.3231 8 Q 4.1042 8.6066 119.7736 59.1568 28.3326 178.4192 9 L 4.0683 7.9355 119.6498 57.6963 41.6570 179.5871 10 V 3.8037 7.9813 118.1324 66.2632 31.6084 178.0847 11 L 4.3219 8.5953 118.5223 57.4478 41.2577 178.8991 12 H 4.2847 8.3779 118.4812 59.0718 30.2372 177.3002 13 V 3.7392 7.8539 121.3540 64.4892 31.3758 178.1904 14 W 3.8150 8.6513 128.8946 60.0532 30.2885 177.7494 15 A 4.0173 8.0627 120.0593 54.9886 18.0933 179.4591 16 K 3.9063 7.6591 116.8828 59.3767 31.9302 179.7198 17 V 2.9318 6.9306 118.0811 65.5993 31.1627 177.3163 18 E 3.9481 7.3668 115.4059 57.7465 29.2975 178.2470 19 A 4.2212 7.3846 120.3015 53.5173 19.7570 177.6366 20 D 4.6587 7.9402 116.8192 52.0728 42.5922 175.5028 21 V 3.4469 7.8736 123.8099 65.9747 32.0787 176.8088 22 A 4.0564 7.9955 120.0694 54.9896 18.2474 179.6994 23 G 3.6367 8.3395 105.6054 45.5307 0.0000 175.7293 24 H 4.1455 8.2220 118.9841 58.4757 28.6845 178.2234 25 G 3.5436 8.3488 107.7685 47.6517 0.0000 175.7621 26 Q 3.8866 8.1794 120.4011 58.9860 28.7279 178.7374 27 D 4.2960 7.9301 119.7501 57.3984 40.7411 179.0288 28 I 3.6635 7.9450 120.5595 64.2997 37.0197 178.5593 29 L 3.4174 7.8366 119.8891 57.4722 41.2414 179.5832 30 I 3.5851 7.6394 119.9279 64.3039 36.9404 178.4386 31 R 3.7850 8.0246 119.6487 59.1197 29.8578 178.2561 32 L 3.9317 7.9154 120.3157 58.3985 41.9547 179.1359 33 F 4.6022 8.0937 117.9546 60.4381 38.5747 178.0198 34 K 4.1150 8.2301 117.9481 59.5389 31.9667 179.3151 35 S 4.3149 8.1503 114.6132 60.2443 64.1214 174.5141 36 H 4.6928 8.1156 118.3570 52.0196 29.5090 171.7957 37 P 4.5017 0.0000 0.0000 64.5030 31.2259 177.4003 38 E 4.0793 8.3005 116.3805 59.6478 29.1963 179.2718 39 T 4.0777 8.1905 111.3083 64.6049 68.8805 176.3977 40 L 3.5937 7.9229 123.0573 57.6596 41.7779 178.4232 41 E 4.0692 7.7561 116.8491 58.4596 29.6416 178.2519 42 K 4.4417 8.1020 117.1295 57.1238 32.6651 177.3020 43 F 4.5909 8.1610 119.1698 55.5344 39.5099 175.4299 44 D 4.3734 8.5825 125.1052 57.4715 40.4470 178.7871 45 R 3.6394 7.8510 117.7782 58.3251 30.2241 176.6813 46 F 5.0671 8.0445 114.6873 56.6613 40.6632 176.5650 47 K 4.0946 7.6728 119.7720 58.7516 32.4482 177.6348 48 H 4.4027 8.0927 114.3569 56.8678 28.9895 175.0660 49 L 4.3534 7.7200 122.1426 54.1997 41.7379 176.6044 50 K 4.5023 9.8319 123.5553 56.2537 33.9747 176.6953 51 T 4.7439 7.4689 108.6629 58.8863 73.1846 174.1770 52 E 3.8698 8.6629 121.8326 59.3733 29.7476 178.8898 53 A 4.0010 7.9487 120.4370 55.2254 18.2644 179.3188 54 E 3.9528 8.1776 116.2650 59.6393 29.8434 179.1232 55 M 4.1561 8.2788 119.0060 58.4763 31.8601 179.0541 56 K 4.0012 8.2792 117.2515 58.8075 32.2640 178.4448 57 A 4.4648 7.5920 118.9065 51.7185 19.2336 177.0335 58 S 4.3436 7.5366 113.7459 57.1936 62.5915 174.4353 59 E 4.0152 8.8184 129.4875 59.2651 29.4663 177.9783 60 D 4.4243 8.1687 117.9315 57.0462 41.2911 177.7910 61 L 3.5417 8.1535 121.1488 57.7774 42.0385 178.8303 62 K 3.8702 7.9702 119.4064 59.3336 32.1108 178.8648 63 K 3.9683 8.3279 118.9303 59.9237 31.9733 178.8544 64 H 4.3865 8.6765 118.5331 58.9932 29.7405 177.4294 65 G 3.5994 8.3817 108.0625 47.7432 0.0000 175.7978 66 V 3.6090 7.7862 120.5667 65.9808 31.5703 178.0755 67 T 3.8795 7.9992 115.4786 66.7108 68.2653 176.6098 68 V 3.5953 7.9137 119.9496 66.2402 31.5931 178.1807 69 L 4.2293 8.1817 118.5763 57.9145 41.4177 179.6838 70 T 4.0177 8.3976 116.2152 66.4475 68.5044 176.6810 71 A 4.0132 8.0645 122.8012 55.0256 18.3585 179.4499 72 L 3.7863 8.2513 119.2148 58.0616 42.1076 179.3503 73 G 3.3182 8.5432 105.8879 47.7540 0.0000 175.4571 74 A 4.0024 7.7853 122.1432 54.8111 18.6088 179.6168 75 I 3.8168 7.4789 117.9406 64.5218 37.2046 178.6056 76 L 3.9579 7.8831 120.1827 57.6921 41.2148 179.5378 77 K 3.9987 7.8004 116.4946 58.1923 32.2203 178.6056 78 K 3.9816 7.8412 118.3943 55.7838 32.6626 176.4895 79 K 2.0000 8.3323 118.2468 56.4274 29.7642 175.1877 80 G 3.9593 7.9508 106.1343 45.8175 0.0000 173.9600 81 H 4.5687 7.4062 118.7892 55.3764 27.6269 174.9642 82 H 5.1388 7.3039 110.5632 54.4371 29.7163 176.2728 83 E 3.9260 8.5565 122.7133 60.1745 29.0642 178.5510 84 A 4.0320 7.9473 118.8683 55.1827 18.4800 178.9009 85 E 4.1505 8.0917 116.5505 59.2653 29.7924 179.1503 86 L 4.1842 8.2215 119.2692 57.2282 41.6044 178.8408 87 K 3.7834 8.0401 120.0761 59.4773 31.9947 176.8980 88 P 4.2431 0.0000 0.0000 65.6645 31.2246 178.1005 89 L 3.9920 7.5509 120.1523 57.8774 42.0172 178.8050 90 A 4.1068 8.4612 121.1713 55.2449 18.3616 179.5431 91 Q 3.8094 8.2366 116.8905 59.1849 28.7857 179.4208 92 S 3.9962 8.2270 115.2895 61.7628 63.0033 176.1986 93 H 4.2169 8.6208 119.7014 57.9980 28.1055 177.7807 94 A 2.9665 8.0794 123.4561 54.7019 17.8962 179.2974 95 T 3.6418 7.1252 105.6849 62.0300 69.6733 175.2798 96 K 4.2020 7.3996 120.1439 58.2985 33.4410 176.9152 97 H 4.2955 8.0445 114.3306 56.2640 29.3062 175.3555 98 K 3.7639 7.0114 114.3419 57.4513 29.2184 176.3257 99 I 4.2581 7.7936 119.1592 58.7810 38.7716 175.0809 100 P 4.4814 0.0000 0.0000 62.0946 32.1086 177.5004 101 I 3.3971 8.3803 121.9131 64.5357 36.8923 178.4984 102 K 3.6591 7.9117 119.7854 59.7501 31.9114 178.1653 103 Y 4.1200 7.9994 116.6814 60.5251 37.7599 178.0843 104 L 4.1762 7.8730 120.4387 57.3790 41.6689 178.9313 105 E 3.9595 7.8897 119.0833 59.2769 29.6421 178.7083 106 F 4.4873 7.7766 117.8152 60.8080 38.9055 177.5892 107 I 3.8897 8.1928 118.1227 63.9636 37.7620 178.0915 108 S 4.1796 8.2329 116.4312 61.5839 62.5384 176.4392 109 E 4.0852 8.5253 121.1776 59.2268 29.1651 179.2532 110 A 4.0066 8.1433 120.9419 55.0961 18.4478 179.5947 111 I 3.6745 8.0829 118.6230 64.8191 37.2482 178.7392 112 I 3.8423 7.9401 120.4357 64.5476 36.9063 178.0069 113 H 4.0935 8.5866 119.3290 59.3807 29.7097 177.5095 114 V 3.5536 7.9818 120.0447 66.0143 31.3321 177.9962 115 L 3.7653 7.9383 118.8029 57.7497 41.0241 178.9924 116 H 4.4298 7.9032 117.6516 59.3019 29.9225 177.1988 117 S 4.1736 7.9600 116.1441 61.4582 62.7597 176.3165 118 R 4.1296 7.8266 118.8495 57.1907 31.4043 176.3669 119 H 5.0247 8.1032 115.9718 54.1263 29.8129 173.1631 120 P 4.3314 0.0000 0.0000 65.6835 31.8652 179.2612 121 G 3.6929 8.1555 106.6937 47.5647 0.0000 173.6524 122 D 4.9898 8.0180 117.7844 54.0372 41.5470 176.4747 123 F 4.9632 8.0669 120.6836 56.3733 39.5872 174.3568 124 G 3.8748 7.8062 108.5094 44.1808 0.0000 172.5426 125 A 3.9615 8.3838 120.8890 54.7392 18.2648 179.3699 126 D 4.2077 8.0364 117.1872 56.9207 39.2754 178.8616 127 A 3.9581 7.7540 122.1782 54.4246 18.3567 179.4422 128 Q 3.1939 7.9487 117.2728 58.6747 28.6361 179.2046 129 G 3.4874 8.2917 107.0117 47.6183 0.0000 175.7170 130 A 3.8621 8.0111 123.2132 55.0573 18.2989 179.4468 131 M 4.0054 8.4447 117.2300 58.5956 32.2410 177.8615 132 N 4.2958 8.5379 117.7363 56.7722 39.1133 176.9871 133 K 3.8758 8.1716 119.5933 59.3394 32.0939 179.2316 134 A 3.8358 8.1396 121.3886 55.1170 18.2622 179.7228 135 L 4.0670 8.2921 117.7549 57.7467 41.6797 179.5152 136 E 4.0141 8.5605 119.1671 59.1407 29.3435 179.0753 137 L 4.0008 8.1720 120.5918 57.9232 42.1355 178.5711 138 F 4.1326 8.4036 120.6398 61.6619 39.3195 177.3728 139 R 3.6161 8.2913 117.4963 58.8931 29.8157 178.9411 140 K 3.8427 8.4499 119.8379 59.7675 32.0799 178.6530 141 D 4.3700 8.1813 119.0553 57.2099 40.6535 178.8447 142 I 3.5252 7.6373 120.3135 64.1797 36.9167 178.2915 143 A 3.7092 8.2525 121.8036 54.9901 18.1373 179.5775 144 A 3.9567 8.0067 119.3896 55.1974 18.5320 180.0796 145 K 4.0277 7.9447 117.1996 59.6177 32.0635 179.1078 146 Y 4.0816 8.5102 117.4639 61.0640 37.8064 178.7211 147 K 3.9813 8.5545 120.7855 59.3637 32.0697 178.0570 148 E 3.9218 7.9715 118.6324 59.5288 29.6355 178.4204 149 L 4.4462 7.6587 114.8787 55.0160 41.9862 177.5925 150 G 3.8060 8.1523 107.4078 45.8613 0.0000 173.5853 151 Y 4.5206 8.1678 114.0680 57.2909 38.7454 176.7717 152 Q 4.1187 8.2968 122.2573 56.8328 29.6036 176.0477 153 G 4.1831 8.1223 110.7610 46.0214 0.0000 173.2228 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 1 V 8.05 4.10 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.26 3.97 0.00 0.59 0.60 0.56 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.75 4.52 0.00 4.03 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 4 E 8.91 4.28 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 5 G 8.13 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.23 3.94 0.00 2.03 1.72 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 2.22 2.27 0.00 7 W 8.30 4.47 0.00 3.52 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 8 Q 8.61 4.10 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 9 L 7.94 4.07 0.00 1.98 1.75 0.94 0.67 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 10 V 7.98 3.80 2.52 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 1.22 0.00 0.00 0.88 0.00 0.00 11 L 8.60 4.32 0.00 1.85 1.82 0.92 1.00 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 12 H 8.38 4.28 0.00 3.31 3.59 0.00 5.95 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 13 V 7.85 3.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.83 0.00 0.00 14 W 8.65 3.82 0.00 3.71 3.24 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 15 A 8.06 4.02 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 16 K 7.66 3.91 0.00 1.41 1.51 0.00 1.60 0.00 0.00 1.44 0.00 0.00 2.71 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.41 7.81 17 V 6.93 2.93 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 0.00 0.00 0.02 0.00 0.00 0.10 0.00 0.00 18 E 7.37 3.95 0.00 1.90 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 2.24 2.11 0.00 19 A 7.38 4.22 1.28 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 20 D 7.94 4.66 0.00 2.64 2.52 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 21 V 7.87 3.45 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 1.06 0.00 0.00 0.90 0.00 0.00 22 A 8.00 4.06 1.31 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 23 G 8.34 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.22 4.15 0.00 3.28 3.23 0.00 5.82 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 25 G 8.35 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.18 3.89 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 27 D 7.93 4.30 0.00 2.73 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 28 I 7.94 3.66 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.88 0.00 0.00 29 L 7.84 3.42 0.00 1.28 0.78 0.77 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.64 3.59 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.87 0.00 0.00 31 R 8.02 3.79 0.00 1.85 1.99 0.00 2.95 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 32 L 7.92 3.93 0.00 1.77 1.48 1.09 1.35 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 33 F 8.09 4.60 0.00 3.00 2.91 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 34 K 8.23 4.12 0.00 1.73 1.84 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.64 7.81 35 S 8.15 4.31 0.00 3.74 3.60 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 36 H 8.12 4.69 0.00 3.04 2.83 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.50 0.00 2.14 2.10 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 38 E 8.30 4.08 0.00 2.29 2.29 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 2.02 2.36 0.00 39 T 8.19 4.08 4.57 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 0.99 0.00 0.00 40 L 7.92 3.59 0.00 1.26 1.74 -0.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.76 4.07 0.00 2.07 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 0.00 2.38 2.44 0.00 42 K 8.10 4.44 0.00 1.97 1.71 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.74 1.93 7.81 43 F 8.16 4.59 0.00 3.18 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 44 D 8.58 4.37 0.00 2.64 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 45 R 7.85 3.64 0.00 1.44 0.71 0.00 2.98 0.00 0.00 2.71 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.45 0.00 46 F 8.04 5.07 0.00 2.88 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 47 K 7.67 4.09 0.00 1.94 2.08 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.40 7.81 48 H 8.09 4.40 0.00 3.31 3.49 0.00 5.52 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 49 L 7.72 4.35 0.00 1.61 1.58 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.83 4.50 0.00 1.74 1.81 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.48 7.81 51 T 7.47 4.74 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 1.21 0.00 0.00 52 E 8.66 3.87 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 53 A 7.95 4.00 1.31 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 54 E 8.18 3.95 0.00 2.11 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 2.36 2.35 0.00 55 M 8.28 4.16 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 56 K 8.28 4.00 0.00 1.88 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.51 7.81 57 A 7.59 4.46 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 58 S 7.54 4.34 0.00 3.93 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 59 E 8.82 4.02 0.00 2.14 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 2.40 2.45 0.00 60 D 8.17 4.42 0.00 2.92 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 61 L 8.15 3.54 0.00 1.36 1.61 -0.20 0.27 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 62 K 7.97 3.87 0.00 1.88 1.95 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.33 3.97 0.00 2.19 1.94 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.58 7.81 64 H 8.68 4.39 0.00 3.72 3.51 0.00 5.79 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 65 G 8.38 3.60 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 0.00 0.00 0.00 66 V 7.79 3.61 2.27 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 1.14 0.00 0.00 0.99 0.00 0.00 67 T 8.00 3.88 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 1.27 0.00 0.00 68 V 7.91 3.60 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 1.17 0.00 0.00 1.00 0.00 0.00 69 L 8.18 4.23 0.00 1.81 1.91 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.40 4.02 4.47 0.00 0.00 0.00 0.00 0.00 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 71 A 8.06 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.25 3.79 0.00 1.59 1.72 0.22 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.54 3.32 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 0.00 74 A 7.79 4.00 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 75 I 7.48 3.82 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.65 0.98 0.00 0.00 76 L 7.88 3.96 0.00 1.16 1.54 -0.29 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.80 4.00 0.00 1.66 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.54 7.81 78 K 7.84 3.98 0.00 1.85 1.79 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.76 7.81 79 K 8.33 2.00 0.00 1.22 0.74 0.00 1.45 0.00 0.00 1.40 0.00 0.00 2.59 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.76 7.81 80 G 7.95 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 81 H 7.41 4.57 0.00 3.17 3.24 0.00 5.81 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 82 H 7.30 5.14 0.00 3.29 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.56 3.93 0.00 2.13 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 2.39 2.47 0.00 84 A 7.95 4.03 1.31 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 85 E 8.09 4.15 0.00 2.26 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 2.40 2.47 0.00 86 L 8.22 4.18 0.00 1.85 1.66 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.04 3.78 0.00 2.01 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.24 0.00 2.33 2.30 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 89 L 7.55 3.99 0.00 1.90 1.89 1.00 1.12 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 90 A 8.46 4.11 1.40 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 0.00 0.00 0.00 91 Q 8.24 3.81 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 92 S 8.23 4.00 0.00 3.87 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 93 H 8.62 4.22 0.00 3.49 3.56 0.00 5.81 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 94 A 8.08 2.97 -0.07 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 0.00 0.00 95 T 7.13 3.64 4.12 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 0.00 0.00 0.81 0.00 0.00 96 K 7.40 4.20 0.00 1.54 1.65 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.19 1.33 7.81 97 H 8.04 4.30 0.00 3.01 3.13 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.01 3.76 0.00 1.95 1.88 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.53 7.81 99 I 7.79 4.26 2.03 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 1.32 0.95 1.07 0.00 0.00 100 P 0.00 4.48 0.00 1.77 1.79 0.00 2.47 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.78 0.00 101 I 8.38 3.40 1.72 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.71 0.00 0.00 102 K 7.91 3.66 0.00 1.74 1.70 0.00 1.51 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 0.64 7.81 103 Y 8.00 4.12 0.00 3.06 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 0.00 104 L 7.87 4.18 0.00 1.82 1.81 0.64 0.91 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 0.00 105 E 7.89 3.96 0.00 1.95 1.92 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 2.44 2.43 0.00 106 F 7.78 4.49 0.00 3.24 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 0.00 107 I 8.19 3.89 2.02 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 1.58 1.67 1.09 0.00 0.00 108 S 8.23 4.18 0.00 4.19 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 0.00 109 E 8.53 4.09 0.00 2.31 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 2.65 2.60 0.00 110 A 8.14 4.01 1.38 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 0.00 0.00 0.00 111 I 8.08 3.67 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 1.07 0.00 0.00 112 I 7.94 3.84 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.76 1.19 0.00 0.00 113 H 8.59 4.09 0.00 3.32 3.47 0.00 5.59 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 0.00 114 V 7.98 3.55 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 0.95 0.00 0.00 0.98 0.00 0.00 115 L 7.94 3.77 0.00 0.96 0.41 0.78 0.60 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 0.00 116 H 7.90 4.43 0.00 3.55 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.96 4.17 0.00 3.96 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 0.00 118 R 7.83 4.13 0.00 1.50 1.50 0.00 2.70 0.00 0.00 2.66 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 119 H 8.10 5.02 0.00 3.18 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.75 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 4.33 0.00 2.19 2.21 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 121 G 8.16 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 0.00 0.00 0.00 122 D 8.02 4.99 0.00 2.79 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 0.00 123 F 8.07 4.96 0.00 2.99 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 0.00 124 G 7.81 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 0.00 0.00 0.00 125 A 8.38 3.96 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 0.00 126 D 8.04 4.21 0.00 2.86 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 0.00 127 A 7.75 3.96 1.31 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 0.00 128 Q 7.95 3.19 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 129 G 8.29 3.49 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 0.00 130 A 8.01 3.86 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 0.00 131 M 8.44 4.01 0.00 2.52 2.49 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.89 0.00 132 N 8.54 4.30 0.00 2.85 2.94 0.00 0.00 7.20 7.03 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 0.00 133 K 8.17 3.88 0.00 1.83 1.66 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.53 7.81 134 A 8.14 3.84 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 0.00 135 L 8.29 4.07 0.00 1.73 1.77 0.97 0.99 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 0.00 136 E 8.56 4.01 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 2.34 2.53 0.00 137 L 8.17 4.00 0.00 1.87 1.96 1.04 0.98 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 0.00 138 F 8.40 4.13 0.00 2.99 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 0.00 139 R 8.29 3.62 0.00 2.04 1.88 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 140 K 8.45 3.84 0.00 1.81 1.97 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.18 4.37 0.00 2.76 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 0.00 142 I 7.64 3.53 1.33 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.16 0.41 0.00 0.00 143 A 8.25 3.71 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.01 3.96 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 0.00 145 K 7.94 4.03 0.00 1.98 1.91 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.63 7.81 146 Y 8.51 4.08 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.55 3.98 0.00 1.94 2.00 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.97 3.92 0.00 2.04 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 2.35 2.39 0.00 149 L 7.66 4.45 0.00 2.01 1.96 0.80 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.15 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 0.00 0.00 0.00 151 Y 8.17 4.52 0.00 2.64 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 0.00 152 Q 8.30 4.12 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 153 G 8.12 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 0.00 0.00 0.00 0.00