NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3884 8.3344 115.2787 58.1713 63.3163 172.6797 2 V 3.6697 8.2751 118.4168 62.3072 32.1272 173.2537 3 E 4.2229 9.3065 126.8123 55.2420 31.0063 174.6585 4 P 4.5948 0.0000 0.0000 61.9776 31.9327 174.3453 5 V 4.1051 7.6780 116.2324 60.8929 34.1352 175.5423 6 V 4.3517 7.6355 118.3763 58.5657 34.0079 175.6920 7 V 4.3086 8.4675 126.2086 62.3988 32.6416 175.1133 8 I 4.9273 8.7897 120.2269 58.9077 40.5831 174.8583 9 D 4.7951 8.8943 125.2981 53.8370 41.1899 176.0830 10 G 4.2721 8.1711 104.8003 44.6036 0.0000 173.9671 11 K 5.2828 7.7994 129.9346 54.9314 32.2407 178.7787 12 G 3.9226 8.9085 108.4978 47.3353 0.0000 170.7638 13 H 4.8739 8.1891 122.9930 55.4866 33.6147 172.8404 14 L 5.3080 8.9489 126.5245 54.4772 42.3420 178.5643 15 V 3.5505 8.7279 117.5816 64.6401 31.9407 178.9136 16 G 3.5020 8.1246 104.6280 47.9128 0.0000 175.4260 17 R 4.0811 7.9108 119.0681 58.7157 30.3653 178.6320 18 L 4.3098 8.0071 119.9468 57.2961 42.9843 176.9331 19 A 4.9853 8.3615 124.9170 49.6940 17.2368 176.3795 20 S 5.2958 7.0951 122.3796 58.5208 65.4616 177.5144 21 V 4.2633 6.8173 118.6707 64.1744 34.0997 175.9256 22 V 5.3022 7.6262 123.6773 58.6588 30.1996 174.6957 23 A 4.5734 7.4728 135.0000 51.5285 19.2734 175.7840 24 K 4.2174 6.8975 134.3494 55.9365 37.2913 177.9850 25 Q 3.9522 7.9461 119.5747 59.0241 28.7533 178.1206 26 L 4.4655 7.7929 121.3608 57.4730 42.2634 178.1325 27 L 4.0952 7.8427 118.7600 58.3144 42.1587 178.1988 28 N 4.5608 8.2017 115.5715 53.8865 37.1547 176.6518 29 G 5.0497 7.6467 120.8032 46.8281 0.0000 173.0708 30 Q 4.0325 8.0185 119.4636 56.3429 29.2022 178.4742 31 K 4.1687 8.5962 120.7955 58.7753 32.4726 175.9783 32 I 4.7765 7.2538 116.6076 58.9914 41.7653 174.7183 33 V 4.9150 8.8724 115.5905 61.5103 32.6288 175.9121 34 V 5.0008 8.6188 122.1968 60.1312 34.1619 174.5228 35 V 4.8317 8.5287 121.9987 61.7801 35.4758 175.6794 36 R 4.0081 8.8999 119.4744 56.4236 27.8869 175.6331 37 A 3.7659 7.3131 118.5201 53.2244 19.5716 176.0388 38 E 4.6159 9.1410 117.7681 54.1058 29.2314 173.6614 39 E 4.3674 8.8459 115.1434 56.3670 30.2941 175.4238 40 L 5.6329 8.3967 122.5817 53.9953 43.6797 175.0152 41 N 5.2889 9.5309 122.9380 51.4325 42.2227 172.8662 42 I 4.8294 8.1679 117.6627 58.9782 40.0953 175.6063 43 S 4.2642 8.4282 119.1510 58.2779 64.1613 172.0854 44 G 4.1575 10.0236 110.9063 46.0606 0.0000 173.1904 45 E 4.5814 8.6615 118.9977 57.6411 32.0671 176.0478 46 F 4.0327 8.6064 116.8047 58.3626 37.6187 175.3815 47 F 4.6765 7.7802 121.8101 58.2103 47.8405 176.2565 48 R 4.6228 9.0118 123.3956 55.6038 29.1118 175.7116 49 N 4.9101 7.7294 116.0317 55.6865 45.7059 175.0734 50 K 4.1501 8.2199 118.9050 59.3104 32.1796 176.8395 51 L 4.6440 8.1996 118.6201 54.0486 42.6301 176.4422 52 K 4.5383 8.6730 115.4251 58.1263 32.1631 174.6929 53 Y 4.2460 7.0269 121.7705 58.8968 38.4416 175.8676 54 H 4.9382 9.0541 123.6675 56.5292 30.3443 172.7392 55 D 4.5381 7.6632 120.2504 54.1656 41.3381 176.7159 56 F 4.7145 8.3719 116.5147 57.7876 38.7233 176.3816 57 L 4.7563 7.6635 122.1745 55.0578 43.9837 177.5201 58 R 3.9263 7.9109 118.6677 57.6066 30.1871 177.4946 59 K 4.2216 8.2558 115.5328 56.7591 31.4608 176.4265 60 A 4.1994 7.6365 121.3327 55.6158 18.7518 179.3243 61 T 4.1812 7.8495 111.4872 64.1691 69.3320 174.8921 62 A 3.7559 8.8023 123.9135 53.1243 16.4107 178.8111 63 F 4.3567 8.0431 119.8844 61.7818 39.9661 174.1877 64 N 4.6978 7.8254 117.7166 52.6928 42.1477 171.8252 65 K 4.7313 8.2973 117.5009 56.9504 32.7747 178.9404 66 T 4.6635 8.7238 116.2632 61.1864 67.1542 173.1012 67 R 4.6080 7.7703 119.1179 56.3142 37.5467 175.9728 68 G 3.8192 7.8427 105.4989 44.9477 0.0000 170.9778 69 P 4.4343 0.0000 0.0000 61.4312 32.7562 174.8309 70 F 4.8131 7.0595 113.9880 55.5257 40.5686 175.4639 71 H 4.5477 8.2047 118.9753 54.6408 30.3371 173.4346 72 F 5.1056 8.4027 119.8543 56.6858 42.5594 174.5967 73 R 4.4310 8.7013 115.8271 56.0287 31.4960 176.4035 74 A 4.6901 7.7492 119.4606 50.1217 21.6774 176.0522 75 P 4.4375 0.0000 0.0000 65.4151 31.4772 179.5528 76 S 4.4481 8.0995 112.9398 61.8326 63.1623 176.7070 77 R 3.5453 7.8468 122.1857 58.2909 29.5381 178.9052 78 I 3.9732 8.6784 120.3615 63.4229 36.8347 177.4764 79 F 4.9690 7.6257 110.2932 56.6617 38.3474 176.3511 80 Y 3.5136 7.2886 124.7793 60.5635 38.4377 177.6210 81 K 3.9357 8.5591 120.0305 59.9295 32.4040 178.9413 82 A 4.0225 7.1970 121.2965 54.9799 18.3669 179.2515 83 L 3.9542 7.3221 116.4986 57.8730 41.8900 179.6923 84 R 4.0021 7.5075 117.7064 58.1544 30.0905 177.5391 85 G 3.9166 7.3003 105.9654 46.7624 0.0000 172.5214 86 M 3.2301 8.8201 117.2633 55.6636 29.4497 177.2311 87 V 4.5101 7.6727 110.0156 60.1974 36.1176 175.6908 88 S 4.5121 8.3331 118.9525 56.9859 61.7473 174.2219 89 H 4.1629 8.3290 124.5467 59.0589 29.0387 177.9476 90 K 4.0033 7.3704 118.3033 59.3600 32.3370 176.7576 91 T 4.4998 7.2544 113.4729 62.2616 73.0478 174.8439 92 A 3.5686 8.4333 124.4414 51.1029 16.6173 177.1361 93 R 4.0569 8.5383 116.3123 57.7065 28.6813 176.1235 94 G 4.2016 7.6337 122.0687 45.5691 0.0000 172.2181 95 K 4.6205 7.9790 130.3640 54.6801 34.1135 176.8687 96 A 4.8844 8.4487 135.0000 52.8097 21.2819 178.0738 97 A 4.2038 9.5867 130.3565 54.5217 17.9428 179.2220 98 L 5.3157 7.8982 132.2876 57.6777 41.9406 174.8905 99 E 4.2159 7.5273 117.7280 59.5714 29.7807 178.7624 100 R 4.7613 8.0453 117.4155 55.8736 30.1035 176.2260 101 L 4.8720 8.2107 117.2546 54.4033 43.6932 175.3949 102 K 4.7750 8.7286 119.5126 54.7877 36.7581 175.2393 103 V 5.0520 8.1804 114.9088 59.7528 34.2334 175.0969 104 F 4.8866 9.1793 122.5945 55.4705 42.1538 175.0947 105 E 4.5465 8.6297 121.2130 55.7896 30.1906 176.5320 106 G 4.2344 7.9203 111.2879 45.9229 0.0000 175.4140 107 I 4.5890 7.6490 111.3401 59.0474 37.0429 177.8679 108 P 4.3847 0.0000 0.0000 61.2994 30.3780 173.9165 109 P 4.3083 0.0000 0.0000 62.6190 31.6960 176.0188 110 P 4.2553 0.0000 0.0000 64.4833 31.6409 176.0425 111 Y 3.5022 6.7595 113.5886 55.4830 39.5434 175.3625 112 D 4.2828 8.2603 123.5830 57.5389 40.4177 174.0295 113 K 4.3030 8.2831 121.3814 54.1004 33.3777 174.7914 114 K 4.2756 8.2523 126.4711 56.0716 32.9576 176.4387 115 K 4.6913 8.1830 121.7496 54.6306 34.5549 176.5616 116 R 4.2785 8.3832 121.3006 56.2009 31.4502 176.8794 117 V 5.0524 8.5523 121.9103 61.0462 33.1693 174.6666 118 V 4.4689 8.0219 120.3600 58.9736 33.6798 175.3968 119 V 3.5506 8.2567 118.3624 61.4863 31.1608 172.0173 120 P 4.1302 0.0000 0.0000 62.6597 30.6480 175.1783 121 Q 4.3941 8.4209 124.0634 53.5396 28.7125 173.9308 122 A 4.7156 7.4329 122.1142 49.3208 22.7858 176.7192 123 L 3.9896 8.6674 120.8276 58.4194 40.6334 178.7538 124 R 3.7418 7.8090 116.7256 56.7297 28.2747 176.9011 125 V 4.0604 7.7301 117.1216 60.6926 30.1599 173.2393 126 L 4.2671 8.1045 122.4009 55.3283 43.1351 176.4825 127 R 3.7738 8.7448 124.4727 57.2461 27.5433 179.1716 128 L 4.3656 7.3412 117.6170 54.6645 39.8930 178.3748 129 K 3.9429 8.2806 123.7308 58.6397 32.7044 176.6422 130 P 4.3896 0.0000 0.0000 64.9746 31.6477 176.7587 131 G 4.1942 7.2734 107.0604 45.4245 0.0000 172.3493 132 R 4.5035 7.3326 117.2180 54.4818 34.7808 174.5200 133 K 3.9391 8.2328 119.2391 57.6935 33.6590 175.8529 134 Y 5.0397 8.0106 122.4796 56.3572 41.4981 175.1254 135 T 4.8095 8.4532 113.6892 59.9230 71.2201 173.2548 136 T 4.5018 7.7404 114.8797 60.4061 72.3617 173.0392 137 L 5.0144 8.2975 125.9173 54.4783 37.5193 175.6736 138 G 3.4973 9.1152 108.1924 48.4203 0.0000 175.1269 139 K 4.2794 8.1980 120.8045 58.4785 32.7536 178.3528 140 L 3.9122 7.6679 120.1982 58.4609 42.0238 178.5033 141 S 4.6789 7.8609 111.2388 59.0368 62.7376 174.6974 142 T 4.6728 8.0096 113.5730 62.9968 70.3923 176.8611 143 S 4.2283 8.2814 117.4395 61.1314 63.0847 175.2672 144 V 3.5784 7.3984 118.1321 60.4874 32.0187 176.3468 145 G 3.7948 8.2336 110.9644 45.2081 0.0000 173.6142 146 W 4.4429 8.1646 117.1279 56.4776 28.4589 176.2229 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 S 8.33 4.39 0.00 3.76 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 2 V 8.28 3.67 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 0.87 0.00 0.00 1.02 0.00 0.00 3 E 9.31 4.22 0.00 1.99 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 2.27 2.31 0.00 4 P 0.00 4.59 0.00 2.02 1.97 0.00 3.55 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 1.92 1.99 0.00 5 V 7.68 4.11 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 0.74 0.00 0.00 0.94 0.00 0.00 6 V 7.64 4.35 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 0.72 0.00 0.00 0.95 0.00 0.00 7 V 8.47 4.31 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 0.89 0.00 0.00 0.95 0.00 0.00 8 I 8.79 4.93 1.87 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 1.53 0.87 0.98 0.00 0.00 9 D 8.89 4.80 0.00 2.76 3.04 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 10 G 8.17 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 0.00 0.00 0.00 11 K 7.80 5.28 0.00 1.75 0.83 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.49 7.81 12 G 8.91 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 13 H 8.19 4.87 0.00 3.20 3.03 0.00 5.91 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.95 5.31 0.00 1.60 1.51 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.73 3.55 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 0.74 0.00 0.00 0.98 0.00 0.00 16 G 8.12 3.50 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 0.00 17 R 7.91 4.08 0.00 1.74 1.99 0.00 3.20 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 18 L 8.01 4.31 0.00 1.70 1.84 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.36 4.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.10 5.30 0.00 4.00 3.88 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 21 V 6.82 4.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.07 0.00 0.00 22 V 7.63 5.30 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 0.96 0.00 0.00 1.02 0.00 0.00 23 A 7.47 4.57 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 24 K 6.90 4.22 0.00 1.98 1.76 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.26 7.81 25 Q 7.95 3.95 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 26 L 7.79 4.47 0.00 1.66 1.73 0.91 1.11 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 27 L 7.84 4.10 0.00 1.66 1.97 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.20 4.56 0.00 2.90 2.94 0.00 0.00 6.97 6.61 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 29 G 7.65 5.05 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 0.00 0.00 0.00 30 Q 8.02 4.03 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 31 K 8.60 4.17 0.00 1.76 1.99 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.37 7.81 32 I 7.25 4.78 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 1.02 0.00 0.00 33 V 8.87 4.92 2.50 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 1.08 0.00 0.00 1.05 0.00 0.00 34 V 8.62 5.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.04 0.00 0.00 35 V 8.53 4.83 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.01 0.00 0.00 36 R 8.90 4.01 0.00 1.99 2.19 0.00 3.43 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 37 A 7.31 3.77 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 38 E 9.14 4.62 0.00 2.05 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 0.00 2.20 2.19 0.00 39 E 8.85 4.37 0.00 1.93 1.93 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 2.40 2.34 0.00 40 L 8.40 5.63 0.00 1.39 1.31 -0.19 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 41 N 9.53 5.29 0.00 2.77 2.64 0.00 0.00 6.29 7.74 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 42 I 8.17 4.83 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.00 0.89 0.00 0.00 43 S 8.43 4.26 0.00 2.74 2.87 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 44 G 10.02 4.16 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 0.00 0.00 0.00 45 E 8.66 4.58 0.00 1.66 1.89 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 2.33 2.15 0.00 46 F 8.61 4.03 0.00 3.31 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 47 F 7.78 4.68 0.00 2.72 2.50 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 48 R 9.01 4.62 0.00 1.99 2.07 0.00 3.16 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 49 N 7.73 4.91 0.00 2.51 2.63 0.00 0.00 7.23 6.68 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 50 K 8.22 4.15 0.00 1.86 1.97 0.00 1.81 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.85 7.81 51 L 8.20 4.64 0.00 1.87 1.63 1.04 0.91 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 52 K 8.67 4.54 0.00 1.85 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.42 7.81 53 Y 7.03 4.25 0.00 3.28 2.19 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 54 H 9.05 4.94 0.00 3.12 3.33 0.00 5.70 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 55 D 7.66 4.54 0.00 2.83 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 56 F 8.37 4.71 0.00 3.11 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 57 L 7.66 4.76 0.00 1.63 1.71 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.91 3.93 0.00 2.17 2.04 0.00 3.58 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 59 K 8.26 4.22 0.00 2.06 2.04 0.00 1.97 0.00 0.00 1.99 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.58 7.81 60 A 7.64 4.20 1.30 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 0.00 0.00 61 T 7.85 4.18 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 62 A 8.80 3.76 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.04 4.36 0.00 3.42 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 64 N 7.83 4.70 0.00 3.11 2.85 0.00 0.00 6.73 6.68 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 65 K 8.30 4.73 0.00 1.77 0.74 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.47 7.81 66 T 8.72 4.66 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 67 R 7.77 4.61 0.00 1.79 1.98 0.00 3.35 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 68 G 7.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.43 0.00 1.77 1.68 0.00 3.47 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 1.84 1.92 0.00 70 F 7.06 4.81 0.00 2.95 3.03 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 71 H 8.20 4.55 0.00 3.22 3.30 0.00 5.64 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.40 5.11 0.00 3.07 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 73 R 8.70 4.43 0.00 1.96 1.97 0.00 3.04 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 74 A 7.75 4.69 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 P 0.00 4.44 0.00 2.26 2.18 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 76 S 8.10 4.45 0.00 3.96 4.15 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 77 R 7.85 3.55 0.00 2.01 1.12 0.00 3.38 0.00 0.00 3.53 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 78 I 8.68 3.97 2.14 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.64 1.14 0.00 0.00 79 F 7.63 4.97 0.00 3.38 3.19 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 80 Y 7.29 3.51 0.00 2.83 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 81 K 8.56 3.94 0.00 2.35 2.34 0.00 1.35 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.79 1.85 7.81 82 A 7.20 4.02 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 83 L 7.32 3.95 0.00 1.30 1.38 0.65 0.99 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 84 R 7.51 4.00 0.00 1.82 1.88 0.00 2.75 0.00 0.00 2.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 85 G 7.30 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 86 M 8.82 3.23 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 87 V 7.67 4.51 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 0.64 0.00 0.00 0.99 0.00 0.00 88 S 8.33 4.51 0.00 3.95 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 89 H 8.33 4.16 0.00 3.28 3.49 0.00 5.74 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 90 K 7.37 4.00 0.00 1.81 1.79 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.33 1.34 7.81 91 T 7.25 4.50 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 92 A 8.43 3.57 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 93 R 8.54 4.06 0.00 1.78 1.90 0.00 3.45 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 94 G 7.63 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.98 4.62 0.00 2.13 2.24 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.49 7.81 96 A 8.45 4.88 1.17 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 0.00 0.00 97 A 9.59 4.20 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 98 L 7.90 5.32 0.00 1.84 1.92 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.53 4.22 0.00 2.23 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 2.41 2.43 0.00 100 R 8.05 4.76 0.00 1.81 1.96 0.00 3.15 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 101 L 8.21 4.87 0.00 1.57 1.59 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.73 4.78 0.00 1.58 1.21 0.00 1.38 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.29 7.81 103 V 8.18 5.05 2.55 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 0.37 0.00 0.00 0.82 0.00 0.00 104 F 9.18 4.89 0.00 3.06 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 0.00 105 E 8.63 4.55 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 106 G 7.92 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 0.00 0.00 0.00 0.00 107 I 7.65 4.59 1.85 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 1.40 1.13 0.89 0.00 0.00 108 P 0.00 4.38 0.00 2.03 2.00 0.00 3.68 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 2.00 2.09 0.00 109 P 0.00 4.31 0.00 2.15 1.98 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 110 P 0.00 4.26 0.00 1.93 2.02 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 111 Y 6.76 3.50 0.00 2.89 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 0.00 112 D 8.26 4.28 0.00 2.71 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 0.00 113 K 8.28 4.30 0.00 1.82 1.94 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.22 7.81 114 K 8.25 4.28 0.00 1.79 1.72 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.39 7.81 115 K 8.18 4.69 0.00 1.62 2.02 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.52 7.81 116 R 8.38 4.28 0.00 1.75 1.86 0.00 3.29 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 117 V 8.55 5.05 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 0.74 0.00 0.00 0.98 0.00 0.00 118 V 8.02 4.47 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 0.91 0.00 0.00 0.96 0.00 0.00 119 V 8.26 3.55 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 0.81 0.00 0.00 0.93 0.00 0.00 120 P 0.00 4.13 0.00 2.04 2.10 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 121 Q 8.42 4.39 0.00 2.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.71 0.00 0.00 0.00 0.00 0.00 2.20 1.99 0.00 122 A 7.43 4.72 1.18 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 0.00 123 L 8.67 3.99 0.00 1.80 1.82 0.97 0.64 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 0.00 124 R 7.81 3.74 0.00 1.94 2.02 0.00 3.23 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 125 V 7.73 4.06 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 0.92 0.00 0.00 1.03 0.00 0.00 126 L 8.10 4.27 0.00 1.75 1.61 0.93 0.76 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 0.00 127 R 8.74 3.77 0.00 1.93 2.01 0.00 3.26 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 128 L 7.34 4.37 0.00 1.68 1.83 1.09 0.81 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 0.00 129 K 8.28 3.94 0.00 1.72 1.85 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.38 7.81 130 P 0.00 4.39 0.00 2.25 2.19 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 131 G 7.27 4.19 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 0.00 132 R 7.33 4.50 0.00 1.22 1.60 0.00 3.22 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 133 K 8.23 3.94 0.00 2.26 2.02 0.00 1.48 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.67 1.78 7.81 134 Y 8.01 5.04 0.00 2.86 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 0.00 135 T 8.45 4.81 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 136 T 7.74 4.50 4.14 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 1.01 0.00 0.00 137 L 8.30 5.01 0.00 1.94 1.40 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 138 G 9.12 3.50 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 0.00 139 K 8.20 4.28 0.00 1.77 1.81 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.57 1.42 7.81 140 L 7.67 3.91 0.00 1.68 1.65 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 141 S 7.86 4.68 0.00 4.04 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 0.00 142 T 8.01 4.67 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 143 S 8.28 4.23 0.00 4.27 4.02 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 0.00 144 V 7.40 3.58 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 0.66 0.00 0.00 -0.09 0.00 0.00 145 G 8.23 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 W 8.16 4.44 0.00 3.47 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