NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 Q 4.2111 8.3444 121.7096 55.8839 30.9594 175.6743 29 V 3.4410 7.7717 117.4104 62.8196 31.7875 171.5242 30 E 4.7323 8.8154 126.8472 55.1511 32.3554 175.0807 31 G 4.2860 8.7418 110.2660 44.8454 0.0000 174.0010 32 E 5.1274 8.8052 119.9002 55.7825 31.4861 175.4529 33 V 4.8694 7.7032 120.1440 61.2069 34.3759 174.3159 34 Q 4.6866 9.2391 126.7356 54.2002 31.6179 174.6680 35 I 4.6042 8.2417 124.1275 60.4159 38.1223 175.4913 36 V 4.3902 8.4144 120.5834 59.5384 35.1249 175.1269 37 S 5.1041 8.1686 117.2775 57.3003 66.2140 173.8561 38 T 4.5365 8.2575 113.4278 59.5588 71.0922 175.1808 39 A 4.1318 8.6016 123.6023 54.9939 18.3054 178.3629 40 T 4.2561 7.0786 101.6314 63.5576 70.0129 175.9533 41 Q 4.4796 7.7971 120.9050 54.5717 29.7854 174.8904 42 T 4.9672 8.2365 112.2257 61.0652 70.8066 172.2410 43 F 5.6558 8.6442 122.8330 56.8567 41.5225 172.6669 44 L 5.3887 9.0662 116.7728 53.4592 45.7778 175.6137 45 A 5.3616 9.2871 122.0725 50.6393 23.0346 175.1730 46 T 5.0933 9.3467 116.8041 61.9965 72.4782 172.9874 47 C 5.2504 9.1846 124.1030 58.7177 29.9227 173.0491 48 I 4.9891 8.8430 124.6863 60.8951 40.2080 175.5070 49 N 4.0131 9.4204 121.9452 54.4630 36.7207 175.6442 50 G 3.9797 8.8288 105.7117 45.2779 0.0000 173.3709 51 V 4.4197 7.5724 120.1557 61.0850 34.2352 174.2944 52 C 4.7807 8.9158 128.7281 58.1389 32.2981 172.1226 53 W 5.4373 9.4049 127.3904 56.3300 31.1742 176.1250 54 T 4.6657 8.8434 116.2848 61.8908 70.7802 172.0308 55 V 4.6475 8.5188 113.8437 60.3656 33.0823 176.4959 56 Y 3.9689 9.0298 126.1855 60.9882 38.4394 177.9787 57 H 4.4081 8.8091 114.3629 57.1751 28.5409 176.4866 58 G 2.7714 7.1559 106.7912 46.1095 0.0000 175.0182 59 A 4.5072 8.0443 123.5042 52.6349 19.1546 178.1832 60 G 3.1477 8.1005 105.5730 47.0392 0.0000 174.4048 61 T 4.5079 8.2542 114.8166 61.0323 68.9136 174.8388 62 R 4.1820 7.6273 120.9396 56.9260 30.6054 176.5337 63 T 4.7241 8.2865 110.3234 61.7202 70.3826 173.4772 64 I 3.9856 7.9710 122.8438 59.0941 39.6492 175.0831 65 A 4.5108 8.1857 130.2137 52.4165 19.2815 176.5755 66 S 4.4843 7.9207 110.6408 56.4963 65.9581 173.7827 67 P 4.3964 0.0000 0.0000 64.3575 31.2541 176.9296 68 K 4.2668 8.0290 118.1405 56.1150 32.5065 176.5987 69 G 3.9468 8.1248 106.5691 43.5135 0.0000 171.3102 70 P 4.6218 0.0000 0.0000 63.2086 31.9506 175.8626 71 V 4.5601 8.3548 121.4046 61.0195 34.2367 174.8615 72 I 4.4956 8.4575 121.1589 60.1722 38.8902 175.8168 73 Q 4.0104 8.6689 123.0133 56.7624 29.0287 176.8442 74 M 4.0315 8.3408 121.8372 57.5681 33.0287 176.4406 75 Y 4.9145 7.4125 115.4282 56.6818 42.8603 174.4967 76 T 4.6444 8.6471 119.3872 62.0578 72.1073 173.6628 77 N 4.8492 8.8779 126.1725 50.8021 38.0591 174.4699 78 V 2.9325 7.9489 122.7286 65.7411 32.2423 177.7888 79 D 4.2766 8.0935 117.8981 57.7172 40.6601 177.2871 80 Q 4.1875 8.1969 114.4709 55.5087 28.7467 175.4613 81 D 4.4633 7.8784 116.6975 55.2033 40.4389 172.1659 82 L 5.3480 7.7269 117.8750 52.8560 45.1137 175.1718 83 V 5.0149 9.1250 124.6311 61.4996 35.8401 174.0579 84 G 3.9806 8.5291 111.2151 44.5649 0.0000 172.0394 85 W 5.1582 8.8406 123.4830 53.6841 32.8574 173.3621 86 P 4.6905 0.0000 0.0000 62.2521 31.4695 176.7902 87 A 4.1306 8.5395 125.6343 52.0807 18.8206 176.2144 88 P 4.4948 0.0000 0.0000 61.5405 32.9104 175.8580 89 Q 4.0432 8.1865 117.1742 57.1234 29.2491 176.7858 90 G 3.8976 8.8915 107.8651 45.8030 0.0000 172.8767 91 S 5.5034 7.7757 112.8175 56.3258 66.1061 173.2238 92 R 4.7850 8.7406 116.1885 54.9734 33.1811 173.8430 93 S 5.2153 8.5390 115.7943 57.3307 64.4531 174.1703 94 L 4.4130 9.1525 123.8553 54.7836 43.3181 176.0660 95 T 4.5528 8.1960 118.0648 61.9032 70.2884 172.6252 96 P 4.7366 0.0000 0.0000 62.4034 32.0988 175.9111 97 C 4.3649 9.0479 125.4987 59.9053 31.9919 173.3503 98 T 4.6336 8.5118 113.3080 61.4421 69.0289 173.7617 99 C 4.3657 8.2510 115.7942 57.5680 30.1146 173.9319 100 G 4.0694 8.2344 106.7337 46.4527 0.0000 173.5027 101 S 4.3346 7.5073 112.0789 58.4251 63.0185 173.9420 102 S 4.6525 8.4731 116.5763 58.2524 64.8375 173.5829 103 D 4.6817 8.2157 121.1462 53.1977 40.4898 176.1205 104 L 4.7421 8.3389 124.1536 53.4161 44.7870 175.3084 105 Y 4.9425 9.2880 118.0275 56.3957 42.1127 174.2655 106 L 4.8590 8.9649 126.7451 53.6441 44.1252 174.9998 107 V 4.8367 8.1498 126.0330 61.4645 33.3806 175.4406 108 T 4.4647 8.6390 118.5855 59.7153 70.7156 175.3993 109 R 4.0179 8.3494 117.1364 58.1572 29.3851 176.9010 110 H 4.5149 7.8537 114.8066 55.2538 29.0317 174.9046 111 A 3.7620 8.1232 121.6145 53.0507 16.4695 177.9073 112 D 4.8041 7.7155 117.9229 55.2462 42.8914 175.5364 113 V 5.0074 8.3435 120.5662 61.1077 33.9584 174.6739 114 I 4.7461 8.7294 121.1889 58.3293 40.5154 173.2020 115 P 4.4517 0.0000 0.0000 62.5320 32.7819 175.4535 116 V 4.4648 8.2233 122.8014 61.2572 35.2142 173.7404 117 R 4.7383 9.1095 128.7772 54.9809 31.7652 175.0873 118 R 4.2259 8.4764 127.5297 56.6716 30.2311 175.4951 119 R 4.3835 9.2572 126.5115 57.2028 32.0875 177.5883 120 G 4.2524 7.2482 107.5812 44.3196 0.0000 171.7969 121 D 4.5015 9.0198 118.9215 57.3403 40.9296 178.0042 122 S 3.3751 7.6192 110.0267 57.0547 64.9167 173.0107 123 R 5.0411 7.6521 118.7524 55.3649 33.7602 174.0334 124 G 4.7279 9.4924 110.9994 44.9962 0.0000 171.3755 125 S 5.3505 9.2307 116.4292 55.8425 65.4795 173.7494 126 L 4.4379 8.2785 123.2723 55.5451 41.8954 177.3280 127 L 4.2429 8.1588 121.0531 55.0492 42.3389 177.1881 128 S 4.5173 7.3543 107.8322 56.9372 63.5274 173.9302 129 P 4.7251 0.0000 0.0000 62.4144 32.3314 175.9652 130 R 4.6714 8.6427 119.4583 53.5804 35.0019 173.1898 131 P 4.6239 0.0000 0.0000 63.1605 32.3878 176.9809 132 I 4.0548 9.2321 125.2916 63.9408 37.9610 178.6102 133 S 4.2690 8.2053 113.9688 61.4822 62.5117 175.3810 134 Y 4.2421 7.8511 122.1813 60.2139 38.5188 177.2624 135 L 4.5032 8.1350 118.0508 53.4581 42.1884 176.2943 136 K 3.9548 7.2660 120.8115 58.2390 32.3913 176.4357 137 G 4.0408 9.3035 114.1917 46.9233 0.0000 174.2064 138 S 4.8836 8.0079 114.2053 57.6277 64.8341 174.6337 139 S 4.2963 7.9751 116.6707 59.4037 63.3364 174.7331 140 G 4.7227 8.7829 111.7286 46.5386 0.0000 174.1738 141 G 4.1224 8.5294 107.3897 45.5492 0.0000 171.2026 142 P 5.2707 0.0000 0.0000 61.8462 33.9524 174.9151 143 L 4.8226 8.7733 121.7101 53.3142 43.5458 175.6017 144 L 5.1585 9.1895 125.5563 53.3081 44.2369 177.1057 145 C 4.7492 8.7322 117.6781 56.5453 31.2832 172.6193 146 P 4.1555 0.0000 0.0000 65.7085 30.7727 177.6779 147 A 3.9933 7.9218 118.4543 52.5392 18.4079 178.0988 148 G 3.9330 8.2902 104.2144 45.8157 0.0000 174.0285 149 H 4.5388 7.7434 116.4871 55.1349 29.7876 174.0587 150 A 4.3951 9.1508 124.8312 52.0765 18.8173 178.3726 151 V 4.0196 9.0965 123.3602 64.3509 33.6890 175.4881 152 G 4.3191 7.2926 105.3539 46.0932 0.0000 171.8471 153 L 5.2419 8.1562 119.9206 52.4068 44.1788 176.0250 154 F 4.6677 9.2657 126.6669 59.8289 39.8756 175.2473 155 R 4.0749 9.1971 127.0493 58.0487 30.6035 176.1193 156 A 4.3410 7.3112 117.7737 50.3814 22.6641 174.6952 157 A 4.5980 8.6037 122.9962 51.9723 19.2153 177.6814 158 V 4.0117 9.0032 124.3558 62.1900 32.0199 174.6170 159 C 4.8648 8.5510 125.4119 58.3458 30.1453 174.3414 160 T 4.3534 8.3164 119.3504 62.2738 69.8157 172.8931 161 R 3.8056 9.4921 124.5051 57.5287 27.1688 177.0684 162 G 3.9310 8.0664 103.8384 45.5368 0.0000 170.8434 163 V 4.7188 7.5633 119.4444 61.0766 34.1900 173.9440 164 T 4.9923 9.0957 124.0593 62.2600 70.2543 175.1631 165 K 4.7644 8.7091 122.5712 55.9800 35.0080 175.1485 166 A 4.8847 7.7002 120.6605 51.4170 23.0853 175.0890 167 V 5.1266 9.1356 111.2167 60.3891 36.4790 174.6690 168 D 5.4898 9.5319 124.2686 53.3773 42.9564 175.5270 169 F 5.5504 8.4326 115.6347 55.6974 41.7321 173.8566 170 I 4.1717 8.9973 122.0389 59.7725 38.1907 174.2184 171 P 4.9801 0.0000 0.0000 62.2308 32.0295 177.9864 172 V 3.5467 8.7438 122.5716 65.0684 30.9211 178.7480 173 E 3.8857 8.1200 118.8290 59.1428 29.2121 178.5798 174 N 4.2175 7.9954 116.5419 56.3863 38.1275 177.3931 175 L 3.2894 7.3621 119.5878 57.5143 41.3928 179.1719 176 E 3.9335 7.9025 117.9713 59.5026 29.5847 179.3322 177 T 4.0197 8.2429 110.1482 65.2121 68.8595 176.7365 178 T 3.8759 7.7869 117.9394 66.7216 68.4232 175.5422 179 M 4.5396 7.2676 116.0314 55.7179 31.7486 176.6303 180 R 4.2720 8.2600 124.9841 56.6097 31.5272 174.8978 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 28 Q 8.34 4.21 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 29 V 7.77 3.44 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 0.82 0.00 0.00 0.93 0.00 0.00 30 E 8.82 4.73 0.00 1.89 1.74 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 2.24 2.52 0.00 31 G 8.74 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 0.00 0.00 0.00 0.00 32 E 8.81 5.13 0.00 2.06 2.42 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 2.33 2.10 0.00 33 V 7.70 4.87 2.10 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 0.92 0.00 0.00 0.97 0.00 0.00 34 Q 9.24 4.69 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.62 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 35 I 8.24 4.60 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 0.85 0.00 0.00 36 V 8.41 4.39 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 0.49 0.00 0.00 -0.12 0.00 0.00 37 S 8.17 5.10 0.00 3.62 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 38 T 8.26 4.54 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 1.48 0.00 0.00 39 A 8.60 4.13 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 40 T 7.08 4.26 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 1.23 0.00 0.00 41 Q 7.80 4.48 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 42 T 8.24 4.97 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 1.27 0.00 0.00 43 F 8.64 5.66 0.00 3.36 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 44 L 9.07 5.39 0.00 1.94 1.65 0.99 0.63 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 45 A 9.29 5.36 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 46 T 9.35 5.09 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 1.31 0.00 0.00 47 C 9.18 5.25 0.00 3.17 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 48 I 8.84 4.99 2.18 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 1.38 1.09 1.05 0.00 0.00 49 N 9.42 4.01 0.00 3.06 2.97 0.00 0.00 7.11 7.53 0.00 0.00 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 8.83 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 0.00 0.00 0.00 51 V 7.57 4.42 1.51 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 -0.77 0.00 0.00 0.95 0.00 0.00 52 C 8.92 4.78 0.00 3.05 2.97 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 0.00 0.00 0.00 53 W 9.40 5.44 0.00 3.37 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.84 4.67 4.60 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 1.63 0.00 0.00 55 V 8.52 4.65 1.71 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 0.67 0.00 0.00 0.59 0.00 0.00 56 Y 9.03 3.97 0.00 2.95 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 57 H 8.81 4.41 0.00 3.28 3.44 0.00 5.58 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.16 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 0.00 0.00 0.00 59 A 8.04 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.10 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 0.00 0.00 0.00 61 T 8.25 4.51 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 1.35 0.00 0.00 62 R 7.63 4.18 0.00 2.09 2.04 0.00 3.33 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 63 T 8.29 4.72 4.45 0.00 0.00 0.00 0.00 0.00 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 64 I 7.97 3.99 0.56 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.74 0.36 0.00 0.00 65 A 8.19 4.51 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 0.00 0.00 0.00 0.00 0.00 66 S 7.92 4.48 0.00 3.97 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 67 P 0.00 4.40 0.00 2.17 2.17 0.00 3.69 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 1.95 1.95 0.00 68 K 8.03 4.27 0.00 1.75 1.83 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.34 7.81 69 G 8.12 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 70 P 0.00 4.62 0.00 2.09 2.07 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 71 V 8.35 4.56 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 1.02 0.00 0.00 0.92 0.00 0.00 72 I 8.46 4.50 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.94 0.00 0.00 73 Q 8.67 4.01 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.16 0.00 0.00 0.00 0.00 0.00 1.54 2.41 0.00 74 M 8.34 4.03 0.00 0.84 1.67 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 75 Y 7.41 4.91 0.00 2.90 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 76 T 8.65 4.64 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 1.39 0.00 0.00 77 N 8.88 4.85 0.00 2.79 2.66 0.00 0.00 6.37 7.28 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 78 V 7.95 2.93 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 -0.03 0.00 0.00 0.76 0.00 0.00 79 D 8.09 4.28 0.00 2.81 2.66 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 80 Q 8.20 4.19 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.23 0.00 81 D 7.88 4.46 0.00 2.92 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 82 L 7.73 5.35 0.00 1.75 1.48 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 V 9.13 5.01 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 0.26 0.00 0.00 1.12 0.00 0.00 84 G 8.53 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 0.00 0.00 0.00 85 W 8.84 5.16 0.00 3.19 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 86 P 0.00 4.69 0.00 1.93 1.97 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 87 A 8.54 4.13 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 88 P 0.00 4.49 0.00 2.11 1.97 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 89 Q 8.19 4.04 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.29 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 90 G 8.89 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 91 S 7.78 5.50 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 92 R 8.74 4.79 0.00 1.87 2.16 0.00 2.76 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 93 S 8.54 5.22 0.00 3.81 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 94 L 9.15 4.41 0.00 1.81 1.60 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.20 4.55 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 96 P 0.00 4.74 0.00 1.93 1.97 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 97 C 9.05 4.36 0.00 2.95 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 98 T 8.51 4.63 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 1.23 0.00 0.00 99 C 8.25 4.37 0.00 3.12 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 0.00 100 G 8.23 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 0.00 0.00 0.00 101 S 7.51 4.33 0.00 3.88 3.80 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 0.00 102 S 8.47 4.65 0.00 3.77 3.80 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 0.00 103 D 8.22 4.68 0.00 2.61 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 0.00 104 L 8.34 4.74 0.00 1.48 1.38 0.66 0.45 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 0.00 105 Y 9.29 4.94 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 0.00 106 L 8.96 4.86 0.00 1.54 1.38 0.20 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.15 4.84 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 0.94 0.00 0.00 108 T 8.64 4.46 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 1.03 0.00 0.00 109 R 8.35 4.02 0.00 1.88 2.21 0.00 3.27 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.28 0.00 110 H 7.85 4.51 0.00 3.27 3.34 0.00 5.74 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 0.00 111 A 8.12 3.76 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 0.00 112 D 7.72 4.80 0.00 2.50 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 0.00 113 V 8.34 5.01 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 0.94 0.00 0.00 0.93 0.00 0.00 114 I 8.73 4.75 1.93 0.00 0.00 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 1.21 1.01 1.13 0.00 0.00 115 P 0.00 4.45 0.00 2.01 1.83 0.00 3.56 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 2.16 2.25 0.00 116 V 8.22 4.46 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 0.87 0.00 0.00 0.89 0.00 0.00 117 R 9.11 4.74 0.00 1.87 1.74 0.00 3.16 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 118 R 8.48 4.23 0.00 2.03 1.85 0.00 3.37 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 119 R 9.26 4.38 0.00 1.99 1.91 0.00 3.33 0.00 0.00 3.24 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 120 G 7.25 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 0.00 0.00 0.00 0.00 121 D 9.02 4.50 0.00 2.56 2.66 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 0.00 122 S 7.62 3.38 0.00 3.59 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 0.00 123 R 7.65 5.04 0.00 1.91 1.65 0.00 3.14 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 124 G 9.49 4.73 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 0.00 0.00 0.00 125 S 9.23 5.35 0.00 3.85 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 0.00 126 L 8.28 4.44 0.00 1.57 1.84 0.94 0.80 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 0.00 127 L 8.16 4.24 0.00 1.45 1.68 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.35 4.52 0.00 3.75 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 0.00 129 P 0.00 4.73 0.00 1.96 2.03 0.00 3.65 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 2.01 2.10 0.00 130 R 8.64 4.67 0.00 1.75 1.64 0.00 2.51 0.00 0.00 2.91 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 131 P 0.00 4.62 0.00 2.04 2.00 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 132 I 9.23 4.05 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 2.55 0.96 0.00 0.00 133 S 8.21 4.27 0.00 4.16 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 0.00 134 Y 7.85 4.24 0.00 2.97 3.21 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 0.00 135 L 8.13 4.50 0.00 1.93 1.88 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.27 3.95 0.00 1.82 1.82 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.61 7.81 137 G 9.30 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.01 4.88 0.00 4.38 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 0.00 139 S 7.98 4.30 0.00 3.80 3.26 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 0.00 140 G 8.78 4.72 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 0.00 141 G 8.53 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 0.00 0.00 0.00 0.00 142 P 0.00 5.27 0.00 2.15 2.23 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 143 L 8.77 4.82 0.00 1.48 1.25 0.91 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.19 5.16 0.00 1.64 1.60 0.93 0.53 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 0.00 145 C 8.73 4.75 0.00 3.12 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 0.00 146 P 0.00 4.16 0.00 2.08 2.21 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 147 A 7.92 3.99 1.07 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 0.00 148 G 8.29 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 0.00 0.00 0.00 149 H 7.74 4.54 0.00 3.20 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 A 9.15 4.40 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 0.00 151 V 9.10 4.02 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 0.88 0.00 0.00 0.92 0.00 0.00 152 G 7.29 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.16 5.24 0.00 1.71 1.70 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 154 F 9.27 4.67 0.00 3.10 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 0.00 155 R 9.20 4.07 0.00 1.90 1.97 0.00 3.33 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 156 A 7.31 4.34 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 0.00 157 A 8.60 4.60 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 0.00 158 V 9.00 4.01 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 0.96 0.00 0.00 0.98 0.00 0.00 159 C 8.55 4.86 0.00 3.01 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 0.00 160 T 8.32 4.35 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 1.22 0.00 0.00 161 R 9.49 3.81 0.00 1.91 1.93 0.00 3.34 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 162 G 8.07 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 0.00 0.00 0.00 163 V 7.56 4.72 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 1.00 0.00 0.00 0.94 0.00 0.00 164 T 9.10 4.99 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 165 K 8.71 4.76 0.00 1.68 1.78 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.36 7.81 166 A 7.70 4.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 9.14 5.13 2.51 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 0.74 0.00 0.00 1.16 0.00 0.00 168 D 9.53 5.49 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 F 8.43 5.55 0.00 3.08 3.12 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 0.00 170 I 9.00 4.17 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 1.33 0.78 0.84 0.00 0.00 171 P 0.00 4.98 0.00 2.18 2.06 0.00 3.72 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 2.04 2.11 0.00 172 V 8.74 3.55 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 0.90 0.00 0.00 0.83 0.00 0.00 173 E 8.12 3.89 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 2.39 2.44 0.00 174 N 8.00 4.22 0.00 2.84 2.75 0.00 0.00 6.98 6.70 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 0.00 175 L 7.36 3.29 0.00 1.10 0.23 -0.41 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 176 E 7.90 3.93 0.00 1.98 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 2.41 0.00 177 T 8.24 4.02 4.21 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 1.20 0.00 0.00 178 T 7.79 3.88 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 1.21 0.00 0.00 179 M 7.27 4.54 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.27 0.00 180 R 8.26 4.27 0.00 1.73 1.78 0.00 3.42 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00